Data quality metrics extracted from 1iub.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 1IUB 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
ESRF BEAMLINE BM14
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM14
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1997-07-01
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00901, 1.00394, 0.918326
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
83.909 83.909 254.131 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.009011.003940.91833 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.000 2.360
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.310 2.310
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.290
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 43457 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 27.20 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.4 93.0
Multiplicity 
_reflns.pdbx_redundancy
 11.2 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1IUB
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-03-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.0 - 2.310 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1560 / 0.1830
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD