Data quality metrics extracted from 6o43.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 6O43 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2018-09-30
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.4590
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (v0.7.2)
Phasing
_software.classification
Auto-Rickshaw
Refinement
_software.classification
PHENIX (dev_2689)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
61.397 61.397 101.606 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.45900 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.730 2.130
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.082 2.082
  Rmerge - -
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.060 0.578
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.013 0.134
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 13689 853
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 22.20 3.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 80.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 19.5 17.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.983

Refinement
PDB entry ID
_entry.id
6O43
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-02-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.7 - 2.082 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1792 / 0.2245
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD