Data quality metrics extracted from 6bbu.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 6BBU 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 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-10-10
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
BUSTER
Refinement
_software.classification
BUSTER (2.11.6)
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}
46.53 88.10 146.05 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 44.200
High resolution limit [Å] 
_reflns.d_resolution_high
 2.080
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 77218
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.40
Completeness [%] 
_reflns.percent_possible_obs
 89.8
Multiplicity 
_reflns.pdbx_redundancy
 2.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
6BBU
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-10-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.2 - 2.080 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1829 / 0.2135