Data quality metrics extracted from 4zr8.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 4ZR8 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-G
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-04-17
Detector
_diffrn_detector.type
RIGAKU SATURN 944+
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Model building #1
_software.classification
ARP
Model building #2
_software.classification
Coot
Refinement
_software.classification
PHENIX
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}
65.54 83.38 68.46 90.00 106.97 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978561.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 1.540
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 6.710 1.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.038 0.019 0.448
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.044 0.022 0.524
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 424436 4490 30961
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 112341 1279 8301
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.90 58.66 2.89
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 97.3 99.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.8 - 3.7
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4ZR8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-05-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.8 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1290 / 0.1609
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD