Data quality metrics extracted from 6rga.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 6RGA 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 ID23-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-12-11
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.872600
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless (0.7.1)
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.13_2998)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
63.18 74.73 118.73 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.87260 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.360 37.360 2.250
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.180 8.990 2.180
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.137 0.083 0.853
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.152 0.093 0.946
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.064 0.041 0.397
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 83071 1188 6663
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 14968 232 1277
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 7.60 17.20 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 94.1 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.5 5.1 5.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.994 0.782

Refinement
PDB entry ID
_entry.id
6RGA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-04-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.0 - 2.180 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2127 / 0.2385
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given