Data quality metrics extracted from 6mfo.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 6MFO 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
APS BEAMLINE 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-11-07
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97920
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0230)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.894 116.516 99.889 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 3.200
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.150 3.150
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.362 1.384
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.119 0.616
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 9312 460
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.80 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 99.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.0 5.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6MFO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-09-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
50.0 - 3.150 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2145 / 0.2884
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4APX, 5ULY