Data quality metrics extracted from 5cd6.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 5CD6 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
SSRL BEAMLINE BL14-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL14-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-02-04
Detector
_diffrn_detector.type
MARMOSAIC 325 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.95369,0.97937,0.97922
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SOLVE
Refinement
_software.classification
BUSTER (2.10.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
103.48 167.48 312.23 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.953690.979370.97922 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.715 29.715 2.340
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.260 4.850 2.260
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.077 0.038 0.441
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.106 0.053 0.608
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 460901 47041 47010
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 125291 24001 24163
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.11 14.20 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.1 95.9 98.7
Multiplicity 
_reflns.pdbx_redundancy
 1.9 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5CD6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-07-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.7 - 2.260 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1746 / 0.2081
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD