Data quality metrics extracted from 3gxa.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 3GXA 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 MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
3W1A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2009-03-01
Detector
_diffrn_detector.type
RIGAKU RAXIS HTC
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5415
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHELXS
Refinement
_software.classification
CNS (1.2)
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}
108.395 122.809 160.906 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541500.97910 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.350
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.250 2.250
Rmerge 
_reflns.pdbx_Rsym_value
 0.098 -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 96412 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 2.10 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.4 94.4
Multiplicity 
_reflns.pdbx_redundancy
 4.6 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3GXA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-04-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
21.6 - 2.250 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2060 / 0.2390
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD