Data quality metrics extracted from 1xs0.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 1XS0 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
ESRF BEAMLINE BM30A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM30A
Temperature [K]
_diffrn.ambient_temp
105
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2000-05-30
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97917, 0.97941, 0.97393
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
81.339 46.962 88.044 90.00 89.95 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979170.979410.97393 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.700 1.670
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.580 1.580
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.037 0.223
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 44577 3539
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 3.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.1 98.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.0 2.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1XS0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-10-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
14.5 - 1.580 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2250 / 0.2600
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD