Data quality metrics extracted from 1ji3.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 1JI3 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
SRS BEAMLINE PX9.5
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SRS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PX9.5
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-02-27
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.200
Software
Data collection
_software.classification
MAR345
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.0)
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}
118.500 81.237 99.782 90.00 96.33 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.480001.20000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 24.000 2.240
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.106 0.298
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 47208 2180
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.15 4.16
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.2 91.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.5 3.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1JI3
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-06-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
100.0 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1660 / 0.2100
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR