Data quality metrics extracted from 1sx3.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 1SX3 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
  The method used in the experiment.
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
  SINGLE WAVELENGTH, LAUE, or MAD.
Software
Data reduction
_software.classification
DENZO
  The classification of the program according to its
  major function.
Data scaling
_software.classification
SCALEPACK
  The classification of the program according to its
  major function.
Phasing
_software.classification
X-PLOR
  The classification of the program according to its
  major function.
Refinement
_software.classification
REFMAC (refmac_5.1.19; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk)
  The classification of the program according to its
  major function.
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
  Hermann-Mauguin space-group symbol. Note that the
  Hermann-Mauguin symbol does not necessarily contain complete
  information about the symmetry and the space-group origin. If
  used, always supply the FULL symbol from International Tables
  for Crystallography Vol. A (2002) and indicate the origin and
  the setting if it is not implicit. If there is any doubt that
  the equivalent positions can be uniquely deduced from this
  symbol, specify the _symmetry_equiv.pos_as_xyz or
  _symmetry.space_group_name_Hall data items as well. Leave
  spaces between symbols referring to
  different axes.
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
135.571
  Unit-cell length a corresponding to the structure reported in
  angstroms.
260.112
  Unit-cell length b corresponding to the structure reported in
  angstroms.
150.200
  Unit-cell length c corresponding to the structure reported in
  angstroms.
90.00
  Unit-cell angle alpha of the reported structure in degrees.
101.14
  Unit-cell angle beta of the reported structure in degrees.
90.00
  Unit-cell angle gamma of the reported structure in degrees.
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Refinement
PDB entry ID
_entry.id
1SX3
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-03-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.8 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2455 / 0.2647
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given