Data quality metrics extracted from 6xv4.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 6XV4 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
FRM II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BIODIFF
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2017-03-01
Detector
_diffrn_detector.type
RIGAKU SATURN 944
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54
Software
Data reduction
_software.classification
Aimless
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.17.1_3660)
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}
81.862 81.862 74.969 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
3.400001.54000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.200 2.160 1.940
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.200 0.400 0.600
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 14368 1034 1369
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 3.90 - -
Completeness [%] 
_reflns.percent_possible_obs
 91.1 - -
Multiplicity 
_reflns.pdbx_redundancy
 3.0 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
6XV4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-01-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.9 - 2.090 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2100 / 0.2983
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5JPR