Data quality metrics extracted from 3g3o.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 3G3O at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW7A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-06-06
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9780, 0.97790, 0.9742
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine)
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}
71.20 74.59 80.47 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978000.977900.97420 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 43.400 2.230
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.117 0.620
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 25562 7526
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.10 3.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 95.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.6 7.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3G3O
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-02-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.3 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1985 / 0.2357
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD