Data quality metrics extracted from 6sra.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 6SRA at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
ESRF BEAMLINE BM30A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM30A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2018-05-04
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97994
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.17)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.10.1_2155)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
67.891 141.959 65.309 90.0 115.7 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97994 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.430 37.430 2.270
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.206 9.090 2.210
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.111 0.090 0.383
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.135 0.111 0.468
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.076 0.063 0.266
Total number of observations 
_reflns_shell.number_measured_all
 - 1125 6078
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 27025 395 2299
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 5.20 10.80 1.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.5 95.6 94.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.7 2.8 2.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.986 0.980 0.896

Refinement
PDB entry ID
_entry.id
6SRA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-09-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.4 - 2.206 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2222 / 0.2762
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6SR8