Data quality metrics extracted from 6uu5.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 6UU5 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-E
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-E
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-07-06
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97918
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0257)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
132.358 153.766 231.686 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97918 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
49.000
High resolution limit [Å]
_reflns.d_resolution_high
5.400
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
16704
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
6.68
Completeness [%]
_reflns.percent_possible_obs
99.4
Multiplicity
_reflns.pdbx_redundancy
6.2
CC(1/2)
_reflns.pdbx_CC_half
0.996

Refinement
PDB entry ID
_entry.id
6UU5
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.0 - 5.403 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2951 / 0.3625
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5IPL