Data quality metrics extracted from 6xd4.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 6XD4 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 MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-10-13
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9537
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHELX
Refinement
_software.classification
PHENIX (1.18.2-3874)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 42 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
121.74 121.74 88.91 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.963600.95370 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.150 2.350 2.175
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.090 2.270 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.146 - -
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.161 - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.031 - 0.315
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 39801 2262 3199
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.80 2.00 1.89
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.3 73.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 14.8 22.6 15.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 - 0.643

Refinement
PDB entry ID
_entry.id
6XD4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-06-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.0 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2020 / 0.2467
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD