Data quality metrics extracted from 6x0h.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 6X0H 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
2017-02-25
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979180
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.23)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
76.765 156.937 88.651 90.00 110.38 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97918 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 156.940 156.940 2.120
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.087 11.430 2.090
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.110 0.025 0.858
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.142 0.032 1.113
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.088 0.020 0.702
Total number of observations 
_reflns_shell.number_measured_all
 - 1659 10926
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 114542 696 5054
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 6.00 17.60 1.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.4 95.4 87.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.3 2.4 2.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.991 0.997 0.416

Refinement
PDB entry ID
_entry.id
6X0H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-05-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
65.4 - 2.087 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1823 / 0.2322
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4B63