Data quality metrics extracted from 3sir.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 3SIR 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
SPRING-8 BEAMLINE BL38B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL38B1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-04-23
Detector
_diffrn_detector.type
RIGAKU JUPITER 210
Software
Refinement
_software.classification
REFMAC (5.5.0109)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.025 56.025 287.441 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
50.000
High resolution limit [Å]
_reflns.d_resolution_high
2.680
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
27960
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
98.6
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3SIR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-06-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.0 - 2.680 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1651 / 0.2352
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1I3O