Data quality metrics extracted from 4bsx.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 4BSX 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-06-23
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.1070, 0.9793
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
PHENIX (AUTOSOLVE)
Refinement
_software.classification
PHENIX (PHENIX.REFINE: 1.8.1_1168)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.307 49.331 70.142 88.66 77.63 72.22
Wavelength
_diffrn_radiation_wavelength.wavelength
1.107000.97930 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 68.440 2.350
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.220 2.220
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.100 0.370
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 27104 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.72 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.7 71.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.8 3.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4BSX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-06-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.1 - 2.229 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1906 / 0.2393
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD
Starting model
_refine.pdbx_starting_model
NONE