5HPZ

type II water soluble Chl binding proteins


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP2920.1 M NH4H2PO4, 10% PEG 3,350 and 1.5% w/v 1,2,3-Heptantriol
Crystal Properties
Matthews coefficientSolvent content
2.3246.9

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 38.92α = 90
b = 95.479β = 90
c = 98.61γ = 90
Symmetry
Space GroupP 2 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 315r2014-12-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID23-10.97242ESRFID23-1

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
11.9668.695.40.1332.94.727099
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)
11.962.06860.5081.54.5

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 DIFFRACTIONTHROUGHOUT1.9668.5925571132798.310.212530.209770.26616RANDOM36.96
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]
0.52-0.21-0.31
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.305
r_dihedral_angle_3_deg12.964
r_dihedral_angle_4_deg10.38
r_dihedral_angle_1_deg8.56
r_long_range_B_refined6.288
r_long_range_B_other6.288
r_mcangle_it4.677
r_mcangle_other4.675
r_scangle_other4.604
r_mcbond_it3.331
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.305
r_dihedral_angle_3_deg12.964
r_dihedral_angle_4_deg10.38
r_dihedral_angle_1_deg8.56
r_long_range_B_refined6.288
r_long_range_B_other6.288
r_mcangle_it4.677
r_mcangle_other4.675
r_scangle_other4.604
r_mcbond_it3.331
r_mcbond_other3.33
r_scbond_it3.186
r_scbond_other3.185
r_angle_refined_deg2.051
r_angle_other_deg1.405
r_chiral_restr0.106
r_bond_refined_d0.018
r_gen_planes_refined0.012
r_bond_other_d0.006
r_gen_planes_other0.002
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2663
Nucleic Acid Atoms
Solvent Atoms59
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
PHASERphasing