Data quality metrics extracted from 1dfx.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 1DFX at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
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
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1992-10
Detector
_diffrn_detector.type
MARRESEARCH
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELXL-93
Model building
_software.classification
SHELXL-93
Refinement
_software.classification
SHELXL-93
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
112.5 112.5 63.2 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.99400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.900 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.260
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 11867 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.80 2.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.7 96.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.2 2.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1DFX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1997-09-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.900 Å
R
_refine.ls_R_factor_obs
0.2000
WARNING: no Rwork given
Rfree
_refine.ls_R_factor_R_free
0.2300
Structure solution method
_refine.pdbx_method_to_determine_struct
MULTIPLE WAVELENGTH ANOMALOUS DISPERSION (MAD)