Data quality metrics extracted from 1sq0.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 1SQ0 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
ALS BEAMLINE 5.0.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-05-18
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SHELXS
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
72.497 116.104 67.962 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979420.979590.968601.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.580 2.750
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 2.600
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 17150 -
  <I/σ(I)> - -
Completeness [%] 
_reflns_shell.percent_possible_all
 - 84.0
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1SQ0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-03-17
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.6 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1900 / 0.2390
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD