Data quality metrics extracted from 1c76.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 1C76 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
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1999-11-28
Detector
_diffrn_detector.type
MARRESEARCH
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
AMoRE
Refinement
_software.classification
CNS (0.9)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
43.92 59.84 102.88 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.350
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.250 2.250
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.043 0.182
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 6589 803
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 12.80 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.8 97.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.4 4.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1C76
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2000-02-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.250 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2730