2UV1

Hexagonal crystal form of GamS from bacteriophage lambda.


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5100 MM MES, PH 6.5, 20-25 % PEG 400, 0.1 M NACL
Crystal Properties
Matthews coefficientSolvent content
2.9341.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 84.479α = 90
b = 84.479β = 90
c = 105.26γ = 120
Symmetry
Space GroupP 6 2 2

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
12.67399.50.09615.368512
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)
12.62.7499.50.272.416.2

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 2UUZ2.6105.41691133999.10.2390.2350.3RANDOM35.47
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]
-0.63-0.31-0.630.94
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg24.611
r_dihedral_angle_3_deg19.636
r_dihedral_angle_4_deg17.184
r_dihedral_angle_1_deg5.411
r_scangle_it2.437
r_scbond_it1.52
r_angle_refined_deg1.256
r_mcangle_it1.083
r_mcbond_it0.621
r_nbtor_refined0.299
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg24.611
r_dihedral_angle_3_deg19.636
r_dihedral_angle_4_deg17.184
r_dihedral_angle_1_deg5.411
r_scangle_it2.437
r_scbond_it1.52
r_angle_refined_deg1.256
r_mcangle_it1.083
r_mcbond_it0.621
r_nbtor_refined0.299
r_nbd_refined0.229
r_symmetry_vdw_refined0.17
r_symmetry_hbond_refined0.17
r_xyhbond_nbd_refined0.151
r_chiral_restr0.105
r_bond_refined_d0.01
r_gen_planes_refined0.004
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_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 Atoms1292
Nucleic Acid Atoms
Solvent Atoms31
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing