Data quality metrics extracted from 1i94.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 1I94 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
EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW7B
Temperature [K]
_diffrn.ambient_temp
85
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2000-04-01
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8424
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
CNS (0.9)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
406.3 406.3 173.1 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.209600.933001.213000.84240 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.000 3.260
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.200 3.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.014 0.381
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 221133 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 19.80 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 86.8 83.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.0 7.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1I94
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-03-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.0 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2030 / 0.2450
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR