Data quality metrics extracted from 3rko.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 3RKO 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-07-03
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9789, 0.9790, 0.85, 1.00
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 (3.3.16; 2010/01/06; Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Phasing
_software.classification
SHARP
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 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
94.98 116.57 191.37 98.51 104.08 108.51
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978900.979000.850001.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.979 29.979 3.160
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.000 9.490 3.000
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.165 0.054 1.217
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 11318 52731
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 139150 4146 20452
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 4.20 15.30 0.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.5 90.4 96.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.6 2.7 2.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3RKO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-04-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2319 / 0.2816
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD