Data quality metrics extracted from 3rgc.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 3RGC at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
DIAMOND BEAMLINE I03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-04-26
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9840, 0.9801, 0.9803, 0.9686
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
Data scaling
_software.classification
SCALA (3.3.9; 2008/10/21; Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Refinement
_software.classification
PHENIX (1.6.4_486; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
49.59 94.61 124.60 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.984000.980100.980300.96860 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 62.300 62.300 2.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 7.270 2.300
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.086 0.035 0.633
Rmeas 
_reflns_shell.pdbx_Rrim_I_all
 - 0.041 0.732
Rpim 
_reflns_shell.pdbx_Rpim_I_all
 - 0.016 0.272
Total number of observations 
_reflns_shell.number_measured_all
 - 6000 27851
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 26871 951 3867
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.30 16.10 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 98.8 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 6.3 7.2
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3RGC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-04-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
52.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2235 / 0.2778
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD