Data quality metrics extracted from 6txk.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 6TXK 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
BESSY BEAMLINE 14.3
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.3
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-05-18
Detector
_diffrn_detector.type
RAYONIX MX-225
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.895
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER (2.8.3)
Refinement
_software.classification
PHENIX (1.15.1_3469)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
175.811 175.811 354.136 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.89500 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.440 20.440 2.500
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.359 7.010 2.360
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.230 0.050 1.531
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.248 0.055 1.645
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 20980 105614
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 86438 3414 13809
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.72 28.04 1.33
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 97.5 99.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.5 6.1 7.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.998 0.464

Refinement
PDB entry ID
_entry.id
6TXK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-01-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.4 - 2.359 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2011 / 0.2365
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1vlg