2HFN

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


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP72980.1 M tri-sodium Citrate 20% PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystal Properties
Matthews coefficientSolvent content
2.8156.18

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 90.927α = 90
b = 118.109β = 110.79
c = 97.1γ = 90
Symmetry
Space GroupP 1 21 1

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-B1.12714APS14-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
11.848.5197.34163678
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.81.8699.4

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 DIFFRACTIONSADTHROUGHOUT1.848.51163678864497.340.241420.240080.26649RANDOM39.131
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]
0.01-0.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.675
r_dihedral_angle_4_deg25.923
r_dihedral_angle_3_deg16.27
r_dihedral_angle_1_deg7.088
r_scangle_it3.204
r_scbond_it2.091
r_angle_refined_deg1.441
r_mcangle_it1.263
r_mcbond_it0.925
r_symmetry_hbond_refined0.374
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.675
r_dihedral_angle_4_deg25.923
r_dihedral_angle_3_deg16.27
r_dihedral_angle_1_deg7.088
r_scangle_it3.204
r_scbond_it2.091
r_angle_refined_deg1.441
r_mcangle_it1.263
r_mcbond_it0.925
r_symmetry_hbond_refined0.374
r_nbtor_refined0.304
r_nbd_refined0.217
r_symmetry_vdw_refined0.205
r_xyhbond_nbd_refined0.137
r_chiral_restr0.118
r_bond_refined_d0.013
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 Atoms11195
Nucleic Acid Atoms
Solvent Atoms148
Heterogen Atoms310

Software

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