Data quality metrics extracted from 7dbi.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 7DBI 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 BL19U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL19U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2019-12-07
Detector
_diffrn_detector.type
SIEMENS-NICOLET
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
CRANK2
Refinement
_software.classification
REFMAC (5.8.0258)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.921 93.260 161.275 90.00 95.12 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.630 46.630 2.020
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.990 10.890 1.990
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.094 0.084 0.303
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.133 0.119 0.428
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.094 0.084 0.303
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 256693 1560 12610
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 130308 843 6367
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 11.90 32.10 2.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 98.6 97.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.0 1.9 2.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.987 0.981 0.873

Refinement
PDB entry ID
_entry.id
7DBI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.6 - 1.990 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1683 / 0.1937
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD