Data quality metrics extracted from 4zgi.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 4ZGI 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
NSRRC BEAMLINE BL13B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSRRC
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL13B1
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2014-10-26
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791, 0.9640
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.8.4_1496)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
39.009 39.009 178.459 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.96400 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 20.000 2.800
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.700 5.770 2.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.064 0.025 0.548
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.068 0.026 0.596
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.023 0.009 0.224
Total number of observations 
_reflns.pdbx_number_measured_all
 41786 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 4730 539 457
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.80 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 96.9 96.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.8 8.0 6.4
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.999 0.918

Refinement
PDB entry ID
_entry.id
4ZGI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-04-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.8 - 2.701 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2263 / 0.2644