Data quality metrics extracted from 4m7o.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 4M7O 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-08-02
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97915, 0.97938
Software
Data collection
_software.classification
SBC-Collect
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing #1
_software.classification
SHELXD
Phasing #2
_software.classification
MLPHARE
Phasing #3
_software.classification
HKL-3000
Phasing #4
_software.classification
DM
Model building #1
_software.classification
DM
Model building #2
_software.classification
ARP
Model building #3
_software.classification
WARP
Refinement
_software.classification
PHENIX (phenix.refine: 1.8.2_1309)
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}
154.052 48.173 44.916 90.00 102.74 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979150.97938 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.000 2.050
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.020 2.020
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.087 0.603
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 20707 867
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.50 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.3 81.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.3 2.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4M7O
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-08-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.7 - 2.020 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1804 / 0.2268
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD