Data quality metrics extracted from 6q9s.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 6Q9S 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 X10SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2010-02-25
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9999
Software
Data reduction
_software.classification
XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de)
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 64 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
93.581 93.581 198.467 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.99990 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
19.950
High resolution limit [Å]
_reflns.d_resolution_high
2.400
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.062
Rmeas
_reflns.pdbx_Rrim_I_all
0.064
Rpim
_reflns.pdbx_Rpim_I_all
0.066
  Total number of observations -
Total number unique
_reflns.number_obs
20849
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
27.10
Completeness [%]
_reflns.percent_possible_obs
99.6
Multiplicity
_reflns.pdbx_redundancy
12.7
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
6Q9S
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-12-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2491 / 0.2682
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6Q9Q