Data quality metrics extracted from 4oxn.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 4OXN 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
NSLS BEAMLINE X12C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-11-06
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9,1.1
Software
Data collection
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
MOLREP
Refinement #1
_software.classification
PHENIX (1.7.2_869)
Refinement #2
_software.classification
REFMAC
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.952 97.150 187.009 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.900001.10000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.240
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 5.970 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.167 0.092 0.747
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 305646 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 41571 2227 2030
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.60 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.8 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.4 6.9 7.3
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4OXN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-02-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.5 - 2.293 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1717 / 0.2049
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2X23