Data quality metrics extracted from 6ugc.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 6UGC 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
2019-04-17
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.77490
Software
Data reduction
_software.classification
XDS (20190315)
Data scaling
_software.classification
XSCALE (20190315)
Phasing
_software.classification
SHELXD (SHELXT actually, but was not available on this menu)
Refinement
_software.classification
REFMAC (5.8.0253)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 3 1 c
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
51.03 51.03 36.02 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.77490 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 25.510 25.510 0.920
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 0.900 4.030 0.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.086 0.078 0.464
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.112 0.104 0.572
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 68716 781 4533
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 30646 338 1898
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.85 9.47 2.16
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 78.7 76.8 66.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.2 2.3 2.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.989 0.987 0.854

Refinement
PDB entry ID
_entry.id
6UGC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-09-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.5 - 0.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1180 / 0.1429
Structure solution method
_refine.pdbx_method_to_determine_struct
AB INITIO PHASING