Data quality metrics extracted from 1o5j.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 1O5J at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 19-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-BM
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-10-25
Detector
_diffrn_detector.type
APS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97944, 0.97924, 0.95658
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
SOLVE
Phasing #2
_software.classification
RESOLVE
Model building
_software.classification
RESOLVE
Refinement
_software.classification
REFMAC (5.1.9999)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.514 52.514 34.707 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979440.979240.95658 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.480 2.020
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.950 1.950
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.068 0.245
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 7337 563
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 32.91 3.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 70.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.5 4.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1O5J
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-09-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.5 - 1.950 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1560 / 0.2206
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD