Data quality metrics extracted from 5cm2.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 5CM2 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
SOLEIL BEAMLINE PROXIMA 1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-05-11
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2819, 1.2826, 1.2753
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
XSCALE
Data scaling #2
_software.classification
XSCALE
Phasing
_software.classification
SHARP
Refinement
_software.classification
PHENIX (1.8.4_1496)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 4 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
176.2 176.2 176.2 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980101.281901.282601.27530 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.650
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.494 2.500
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.069 0.501
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 16239 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.20 2.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.9 98.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.8 4.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
5CM2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-07-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.0 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1990 / 0.2420
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD