Data quality metrics extracted from 4xoz.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 4XOZ 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
ESRF BEAMLINE ID14-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID14-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-04-23
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.933000
Software
Data scaling
_software.classification
SCALA
Phasing
_software.classification
REFMAC
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}
49.17 71.55 60.89 90.0 108.6 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.93300 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.025 31.654 2.060
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.950 6.170 1.950
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.023 0.015 0.209
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.038 - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.023 0.013 0.201
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 69568 2139 7519
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 27177 864 3153
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.50 27.40 3.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.1 90.7 75.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.6 2.5 2.4
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4XOZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-01-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.9 - 1.950 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1452 / 0.1883
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3QYW