Data quality metrics extracted from 4zey.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 4ZEY 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
2014-12-05
Detector
_diffrn_detector.type
MARMOSAIC 325 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.95369,0.97968,0.97943
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE (November 3, 2014 BUILT=20141118)
Phasing
_software.classification
SOLVE
Refinement #1
_software.classification
BUSTER-TNT (2.10.2)
Refinement #2
_software.classification
BUSTER (2.10.2)
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}
48.48 34.05 52.34 90.00 108.47 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.953690.979680.97943 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 27.366 27.366 1.550
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 3.230 1.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.092 0.057 0.392
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.128 0.080 0.538
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 39652 4036 3742
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12873 2341 2234
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.56 20.40 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 92.4 91.6 92.1
Multiplicity 
_reflns.pdbx_redundancy
 1.7 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4ZEY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-04-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
27.4 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2089 / 0.2482
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD