Data quality metrics extracted from 6ffl.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 6FFL 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
BESSY BEAMLINE 14.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2013-06-13
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.892
Software
Data reduction
_software.classification
XDS (VERSION March 2013)
Data scaling
_software.classification
XDS (VERSION March 2013)
Phasing
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.11.1_2575: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
78.747 106.692 53.492 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.89200 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.768
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.707 1.707
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.145 1.661
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.148 1.693
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 49643 4807
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 24.00 2.09
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 98.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 26.2 26.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.906

Refinement
PDB entry ID
_entry.id
6FFL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-01-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.8 - 1.707 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1581 / 0.1911
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD