Data quality metrics extracted from 6ulo.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 6ULO 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-E+ SUPERBRIGHT
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-F
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-09-20
Detector
_diffrn_detector.type
RIGAKU SATURN 944+
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
PHASER
Phasing #2
_software.classification
PARROT
Model building #1
_software.classification
ARP/wARP
Model building #2
_software.classification
Coot
Refinement
_software.classification
PHENIX (1.17)
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}
52.44 56.65 60.99 98.637 106.327 83.326
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978721.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 1.330
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 5.810 1.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.036 0.018 0.557
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.041 0.021 0.645
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 155840 1802 11165
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 19.58 56.42 2.35
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.3 98.5 92.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.9 3.8 4.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.999 0.835

Refinement
PDB entry ID
_entry.id
6ULO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
32.2 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1375 / 0.1722
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD