1Z43

Crystal structure of 7S.S SRP RNA of M. jannaschii


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP8.5291PEG 400, Tris buffer, sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Crystal Properties
Matthews coefficientSolvent content
3.6466.23

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 62.11α = 90
b = 62.11β = 90
c = 247.52γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONMAX II BEAMLINE I7111.081MAX III711

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
12.62098.9158141564578570
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.62.798.61632

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1LNG2.620156401485778398.90.25520.25310.29616RANDOM37.874
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]
2.442.44-4.88
RMS Deviations
KeyRefinement Restraint Deviation
r_angle_refined_deg3.226
r_scangle_it3.007
r_scbond_it2.05
r_angle_other_deg2.024
r_nbd_other0.36
r_nbd_refined0.32
r_symmetry_hbond_refined0.274
r_xyhbond_nbd_refined0.246
r_symmetry_vdw_refined0.243
r_symmetry_vdw_other0.159
RMS Deviations
KeyRefinement Restraint Deviation
r_angle_refined_deg3.226
r_scangle_it3.007
r_scbond_it2.05
r_angle_other_deg2.024
r_nbd_other0.36
r_nbd_refined0.32
r_symmetry_hbond_refined0.274
r_xyhbond_nbd_refined0.246
r_symmetry_vdw_refined0.243
r_symmetry_vdw_other0.159
r_xyhbond_nbd_other0.128
r_chiral_restr0.114
r_nbtor_other0.026
r_bond_refined_d0.02
r_gen_planes_refined0.011
r_bond_other_d0.002
r_dihedral_angle_1_deg
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbtor_refined
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_it
r_mcbond_other
r_mcangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms
Nucleic Acid Atoms2169
Solvent Atoms139
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling
CNSphasing