2HFO

Crystal Structures of the Synechocystis Photoreceptor Slr1694 Reveal Distinct Structural States Related to Signaling


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.52980.4 M NH4Ac, 0.1 M Bis-Tris (pH 6.5), 20% PEG3350 and 10% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystal Properties
Matthews coefficientSolvent content
2.4449.56

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 119.424α = 90
b = 147.682β = 90
c = 96.042γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray200CCDMAR CCD 165 mm2005-04-10MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 14-ID-B0.82653APS14-ID-B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.14885961

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2.14885961449090.830.239280.236760.2861RANDOM42.542
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]
1.211.49-2.7
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.787
r_dihedral_angle_4_deg24.621
r_dihedral_angle_3_deg17.886
r_dihedral_angle_1_deg6.62
r_scangle_it3.196
r_scbond_it2.034
r_angle_refined_deg1.558
r_mcangle_it1.258
r_mcbond_it0.864
r_nbtor_refined0.31
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.787
r_dihedral_angle_4_deg24.621
r_dihedral_angle_3_deg17.886
r_dihedral_angle_1_deg6.62
r_scangle_it3.196
r_scbond_it2.034
r_angle_refined_deg1.558
r_mcangle_it1.258
r_mcbond_it0.864
r_nbtor_refined0.31
r_nbd_refined0.229
r_symmetry_vdw_refined0.209
r_xyhbond_nbd_refined0.157
r_chiral_restr0.105
r_symmetry_hbond_refined0.093
r_bond_refined_d0.014
r_gen_planes_refined0.006
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 Atoms11207
Nucleic Acid Atoms
Solvent Atoms129
Heterogen Atoms310

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing