Data quality metrics extracted from 8t1n.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 8T1N at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
ELECTRON CRYSTALLOGRAPHY
Collection date
_diffrn_detector.pdbx_collection_date
2019-11-01
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}
40.58 94.99 101.53 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
3.000 3.000 3.100
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
3.020 13.490 3.020
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
0.365 0.244 0.444
Rmeas
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
0.386 0.281 0.501
  Rpim - - -
Total number of observations
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
39900 247 1100
Total number unique
_reflns.number_obs _reflns_shell.number_unique_obs
4846 56 268
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
5.58 6.85 2.51
Completeness [%]
_reflns.percent_possible_obs
58.8 - -
  Multiplicity - - -
CC(1/2)
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
0.912 0.808 0.140

Refinement
PDB entry ID
_entry.id
8T1N
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-06-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
3.0 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2834 / 0.3066
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
8T0B