Data quality metrics extracted from 6t86.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 6T86 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
SLS BEAMLINE X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-08-21
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.15.2-3472)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 6 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
159.786 159.786 75.491 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.130 46.130 2.670
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.560 8.870 2.560
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.175 0.094 0.650
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.179 0.096 0.710
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.038 0.020 0.274
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 346148 11226 12206
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 18422 537 1973
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 15.30 27.30 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.1 99.3 89.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.8 20.9 6.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.996 0.998 0.864

Refinement
PDB entry ID
_entry.id
6T86
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.1 - 2.560 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1747 / 0.2316
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1D4C