2BSD

Structure of Lactococcal Bacteriophage p2 Receptor Binding Protein


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5A VOLUME OF 1 MICROL OF PROTEIN 6 TO 9 MG/ML) WAS MIXED WITH 1 MICROL OF RESERVOIR SOLUTION CONTAINING 0.85-1.1 M AMMONIUM SULPHATE IN 0.1 M MES PH 6.5. CRYSTALS WERE IMPROVED BY MICROSEEDING.
Crystal Properties
Matthews coefficientSolvent content
2.9561.36

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 76.108α = 90
b = 96.25β = 90
c = 149.491γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
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
12.320990.096.73.5481711
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)
12.32.360.332

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 DIFFRACTIONSADTHROUGHOUT2.3204817112561000.2210.220.252RANDOM23.89
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]
-0.1-0.710.8
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.897
r_scangle_it2.294
r_scbond_it1.369
r_angle_refined_deg1.148
r_mcangle_it0.849
r_mcbond_it0.42
r_symmetry_vdw_refined0.204
r_nbd_refined0.189
r_xyhbond_nbd_refined0.106
r_chiral_restr0.078
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.897
r_scangle_it2.294
r_scbond_it1.369
r_angle_refined_deg1.148
r_mcangle_it0.849
r_mcbond_it0.42
r_symmetry_vdw_refined0.204
r_nbd_refined0.189
r_xyhbond_nbd_refined0.106
r_chiral_restr0.078
r_symmetry_hbond_refined0.068
r_bond_refined_d0.009
r_gen_planes_refined0.004
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbd_other
r_nbtor_refined
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_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 Atoms5820
Nucleic Acid Atoms
Solvent Atoms215
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
SOLVE/RESOLVEphasing