Data quality metrics extracted from 5zt7.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 5ZT7 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
PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-5A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-11-06
Detector
_diffrn_detector.type
DECTRIS PILATUS3 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 1.60518, 1.60612, 1.56556
Software
Data reduction
_software.classification
XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de)
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
SHARP (Gerard Bricogne; sharp-develop@globalphasing.com)
Refinement
_software.classification
PHENIX (1.13_2998)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.96 52.09 75.47 90.00 112.09 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.605181.606121.56556 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.845 36.845 3.040
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.940 10.000 2.940
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.100 0.037 0.944
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.118 0.044 1.119
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 66619 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 10156 480 1882
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.14 29.90 1.28
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 95.8 99.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.4 3.6 3.5
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.996 0.997 0.603

Refinement
PDB entry ID
_entry.id
5ZT7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-05-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.8 - 2.940 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2457 / 0.2762
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD