Data quality metrics extracted from 6qlc.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 6QLC 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
SLS BEAMLINE X06DA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-05-23
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000, 2.07333
Software
Data reduction
_software.classification
XDS (Oct 2015)
Data scaling
_software.classification
Aimless (0.5.25)
Phasing
_software.classification
SHELX (2013/2)
Refinement
_software.classification
PHENIX (1.11)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.826 88.826 63.179 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000002.07333 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.420 44.420 2.270
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 9.070 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.028 0.453
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.047 0.030 0.471
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.013 0.010 0.126
Total number of observations 
_reflns.pdbx_number_measured_all
 86244 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 6690 119 571
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 31.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 12.9 10.5 13.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.968

Refinement
PDB entry ID
_entry.id
6QLC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-01-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.4 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2272 / 0.2859
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD