2VEA

The complete sensory module of the cyanobacterial phytochrome Cph1 in the Pr-state.


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.7TETRAGONAL CRYSTALS OF THE CPH1 PR STATE WERE GROWN IN 96-WELL CRYSTALLIZATION PLATES USING DROPS COMPRISING 500 NL 10 MG/ML CPH1-DELTA2 IN 2.5 MM TRIS/HCL PH 7.8, 15 MM NACL PLUS 500 NL RESERVOIR SOLUTION (2.1 M SODIUM ACETATE, PH 6.7).
Crystal Properties
Matthews coefficientSolvent content
3.255.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 77.18α = 90
b = 77.18β = 90
c = 249γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMIRRORS2007-07-13MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-4ESRFID14-4

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge 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
12.22567.20.0523726939-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.22.256.70.363.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 DIFFRACTIONMADTHROUGHOUTNONE2.2124.6825188106268.10.2450.2440.271RANDOM65.47
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]
1.011.01-2.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.297
r_dihedral_angle_4_deg18.74
r_dihedral_angle_3_deg16.791
r_dihedral_angle_1_deg6.427
r_angle_refined_deg1.301
r_angle_other_deg0.859
r_scangle_it0.758
r_scbond_it0.491
r_mcangle_it0.42
r_mcbond_it0.255
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.297
r_dihedral_angle_4_deg18.74
r_dihedral_angle_3_deg16.791
r_dihedral_angle_1_deg6.427
r_angle_refined_deg1.301
r_angle_other_deg0.859
r_scangle_it0.758
r_scbond_it0.491
r_mcangle_it0.42
r_mcbond_it0.255
r_nbd_refined0.189
r_nbd_other0.182
r_symmetry_vdw_other0.176
r_nbtor_refined0.172
r_symmetry_vdw_refined0.143
r_symmetry_hbond_refined0.13
r_xyhbond_nbd_refined0.128
r_nbtor_other0.083
r_chiral_restr0.062
r_bond_refined_d0.007
r_gen_planes_refined0.003
r_gen_planes_other0.003
r_bond_other_d0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3934
Nucleic Acid Atoms
Solvent Atoms29
Heterogen Atoms43

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
SHARPphasing