Data quality metrics extracted from 3dc4.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 3DC4 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
NSLS BEAMLINE X6A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X6A
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-07-12
Detector
_diffrn_detector.type
ADSC
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791
Software
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing #1
_software.classification
SOLVE (2.13; 26-Jan-2007; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.13; 01-Feb-2007; Terwilliger, T. C; terwilliger@LANL.gov)
Phasing #3
_software.classification
CNS
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
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}
47.829 75.715 94.580 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979000.979600.918400.97910 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 19.000
High resolution limit [Å] 
_reflns.d_resolution_high
 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.057
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 27088
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 22.77
Completeness [%] 
_reflns.percent_possible_obs
 98.6
Multiplicity 
_reflns.pdbx_redundancy
 4.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3DC4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-06-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.0 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2270 / 0.2550
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD, MR