Data quality metrics extracted from 7kk8.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 7KK8 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
APS BEAMLINE 21-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-D
Temperature [K]
_diffrn.ambient_temp
80
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-02-21
Detector
_diffrn_detector.type
DECTRIS EIGER R 4M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.91836
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless (0.5.27)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.17.1_3660)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.06 87.06 143.15 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91836 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 28.440 28.440 2.830
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.700 8.960 2.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.223 0.055 2.155
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.231 0.058 2.233
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.062 0.016 0.584
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 403450 11002 55590
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 29241 798 3869
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 10.30 34.80 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 96.3 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.8 13.8 14.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.998 0.709

Refinement
PDB entry ID
_entry.id
7KK8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.4 - 2.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2165 / 0.2560
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5A43