Data quality metrics extracted from 1fsi.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 1FSI 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
NSLS BEAMLINE X9B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X9B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2000-02-04
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
PHASES
Refinement
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
125.916 125.916 209.897 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.009401.006000.95370 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.590
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.081 0.144
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 34305 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 97.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.0 6.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1FSI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2000-09-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1960 / 0.2650
Structure solution method
_refine.pdbx_method_to_determine_struct
SIR/MAD