Data quality metrics extracted from 6udw.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 6UDW 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
2018-03-22
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792
Software
Data reduction
_software.classification
XDS (20180126)
Data scaling
_software.classification
XSCALE (20180126)
Phasing
_software.classification
SHELXD (2013/2)
Refinement
_software.classification
PHENIX (v1.16)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P -1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
14.01 15.48 18.72 105.148 99.957 99.472
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 17.600 17.600 1.130
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 4.920 1.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.107 0.095 0.132
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.127 0.114 0.159
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 5289 67 302
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 4.78 5.90 4.15
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 89.6 98.5 72.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.5 3.7 3.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.988 0.991 0.981

Refinement
PDB entry ID
_entry.id
6UDW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-09-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
12.1 - 1.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1111 / 0.1127
Structure solution method
_refine.pdbx_method_to_determine_struct
AB INITIO PHASING