2O8P | pdb_00002o8p

Crystal structure of a putative 14-3-3 protein from Cryptosporidium parvum, cgd7_2470


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP5.629715% PEG 3350, 0.3 M ammonium acetate, 0.2 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Crystal Properties
Matthews coefficientSolvent content
2.9358.02

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 87.325α = 90
b = 87.325β = 90
c = 167.213γ = 90
Symmetry
Space GroupI 4 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42006-12-09MSAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 17-ID0.97918APS17-ID

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.825098.10.1050.10599287022870222.1
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.821.8987.10.8590.8592.16.32507

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSADTHROUGHOUT1.8250279202792075797.970.198940.198940.197810.20.239110.24RANDOM22.912
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
-0.08-0.080.17
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.335
r_dihedral_angle_4_deg22.824
r_dihedral_angle_3_deg12.73
r_scangle_it4.641
r_dihedral_angle_1_deg4.041
r_scbond_it3.049
r_mcangle_it1.612
r_mcbond_it1.215
r_angle_refined_deg1.204
r_nbtor_refined0.302
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.335
r_dihedral_angle_4_deg22.824
r_dihedral_angle_3_deg12.73
r_scangle_it4.641
r_dihedral_angle_1_deg4.041
r_scbond_it3.049
r_mcangle_it1.612
r_mcbond_it1.215
r_angle_refined_deg1.204
r_nbtor_refined0.302
r_nbd_refined0.204
r_symmetry_vdw_refined0.204
r_symmetry_hbond_refined0.202
r_xyhbond_nbd_refined0.158
r_chiral_restr0.08
r_bond_refined_d0.013
r_gen_planes_refined0.005
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1809
Nucleic Acid Atoms
Solvent Atoms235
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
JDirectordata collection
HKL-2000data reduction
HKL-2000data scaling
SOLVEphasing
RESOLVEphasing
Cootmodel building