Data quality metrics extracted from 1duo.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 1DUO 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU RU200
Temperature [K]
_diffrn.ambient_temp
298.0
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1994-11-29
Detector
_diffrn_detector.type
SDMS
Software
Data reduction
_software.classification
SDMS
Data scaling
_software.classification
SDMS
Phasing
_software.classification
TNT
Refinement
_software.classification
TNT
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
40.161 49.033 79.240 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.150
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.056 0.182
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 9290 1522
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.70 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 76.0 71.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.2 1.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1DUO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2000-01-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.000 Å
Rwork
_refine.ls_R_factor_R_work
0.1810
WARNING: no Rfree given (but Rwork)!?