Data quality metrics extracted from 7kcu.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 7KCU 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
SEALED TUBE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL High Flux Isotope Reactor
Beamline
_diffrn_source.pdbx_synchrotron_beamline
CG4D
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2017-02-24
Detector
_diffrn_detector.type
RIGAKU RAXIS IV++
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54
Software
Data reduction #1
_software.classification
HKL-2000
Data reduction #2
_software.classification
LAUEGEN
Data scaling #1
_software.classification
HKL-2000
Data scaling #2
_software.classification
SCALA
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14_3260)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
60.83 67.10 69.04 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.800004.600001.54000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 17.480 2.320 2.020
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200 1.950
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.022 0.135 -
Rmeas 
_reflns_shell.pdbx_Rrim_I_all
 - 0.191 -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.106 0.201 0.135
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 11267 1327 2077
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 4.70 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 79.3 65.6 98.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.5 2.2 1.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.938 -

Refinement
PDB entry ID
_entry.id
7KCU
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
17.5 - 2.215 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2491 / 0.3049
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5V5J