Data quality metrics extracted from 7di8.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 7DI8 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
ELECTRON CRYSTALLOGRAPHY
Collection date
_diffrn_detector.pdbx_collection_date
2020-08-26
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.0197
Software
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Refinement
_software.classification
PHENIX (1.12_2829)
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}
69.98 174.02 199.45 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.01970 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
131.126 131.126 3.180
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
3.000 9.000 3.000
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
1.159 0.557 1.786
Rmeas
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
1.173 0.566 1.808
  Rpim - - -
Total number of observations
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
1783075 67253 275487
Total number unique
_reflns.number_obs _reflns_shell.number_unique_obs
40941 1641 6529
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
3.79 7.54 1.90
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
82.3 80.8 82.7
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
43.6 41.0 42.2
CC(1/2)
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
0.688 0.941 0.185

Refinement
PDB entry ID
_entry.id
7DI8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-11-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
131.1 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.3089 / 0.3482