Data quality metrics extracted from 6phq.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 6PHQ 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2019-03-16
Detector
_diffrn_detector.type
RDI CMOS_8M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.15_3459: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
41.770 41.770 30.439 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91840 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.880 1.450
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.320 1.320
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.061 1.407
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.063 1.459
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.016 0.522
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 6050 1512
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 26.80 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 22.6 14.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.737

Refinement
PDB entry ID
_entry.id
6PHQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-06-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.9 - 1.320 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1988 / 0.2473
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD