Data quality metrics extracted from 5odc.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 5ODC 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
SLS BEAMLINE X10SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-04-14
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.73300
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA (3.3.22)
Phasing
_software.classification
PHASER
Refinement
_software.classification
BUSTER (2.10.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
378.047 98.446 137.884 90.0 110.7 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.73300 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.220 2.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.135 0.586
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.053 0.282
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 204479 25173
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.90 2.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 83.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.5 5.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.996 0.500

Refinement
PDB entry ID
_entry.id
5ODC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-07-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.2 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1778 / 0.2004
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD