Data quality metrics extracted from 4z0d.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 4Z0D 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2014-11-07
Detector
_diffrn_detector.type
RIGAKU RAXIS IV
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9464
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
PHASER
Model building
_software.classification
Coot
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
37.952 72.011 115.589 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.94640 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 38.530 38.530 2.160
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 8.910 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.313 0.077 1.504
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.128 0.034 0.617
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 133011 1762 10231
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 19242 312 1515
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.40 12.70 1.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.4 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.9 5.6 6.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.981 0.995 0.686

Refinement
PDB entry ID
_entry.id
4Z0D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-03-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.1 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2025 / 0.2416