Data quality metrics extracted from 6ifs.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 6IFS 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
ESRF BEAMLINE BM14
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM14
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-09-15
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98
Software
Data reduction
_software.classification
iMOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
Auto-Rickshaw
Refinement
_software.classification
REFMAC (5.8.0135)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
44.85 64.18 101.39 90.00 102.34 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 19.640
High resolution limit [Å] 
_reflns.d_resolution_high
 2.270
Rmerge 
_reflns.pdbx_Rsym_value
 0.093
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 26353
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 16.30
Completeness [%] 
_reflns.percent_possible_obs
 99.9
Multiplicity 
_reflns.pdbx_redundancy
 7.5
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
6IFS
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-09-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.6 - 2.270 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1769 / 0.2376