Data quality metrics extracted from 6koi.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 6KOI 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
SSRF BEAMLINE BL17U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-09-28
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless (0.5.32)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0253)
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}
142.040 190.434 237.012 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97900 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 66.540 66.540 3.570
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.500 18.190 3.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.131 0.073 0.819
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.143 0.080 0.892
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.056 0.033 0.347
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 507560 3339 27708
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 80923 646 4350
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 11.30 22.20 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.2 96.7 98.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.3 5.2 6.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 0.989 0.699

Refinement
PDB entry ID
_entry.id
6KOI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
65.9 - 3.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2344 / 0.2654
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4IKB