Data quality metrics extracted from 5zoj.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 5ZOJ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NE3A
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-05-29
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.29)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.12rc2_2821: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
176.813 176.813 73.854 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.550 45.550 2.940
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.790 8.830 2.790
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.148 0.071 1.088
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.162 0.079 1.257
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.065 0.032 0.615
Total number of observations 
_reflns.pdbx_number_measured_all
 171576 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 31950 1040 4471
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 8.20 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.9 94.4 92.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.4 5.4 3.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.994 0.994 0.531

Refinement
PDB entry ID
_entry.id
5ZOJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-04-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.5 - 2.794 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2419 / 0.2692