Experiment | |
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Method _exptl.method | ELECTRON CRYSTALLOGRAPHY The method used in the experiment. |
Collection date _diffrn_detector.pdbx_collection_date | 2022-03-29 The date of data collection. |
Software | |
Data reduction _software.classification | XDS The classification of the program according to its |
Data scaling _software.classification | Aimless The classification of the program according to its |
Phasing _software.classification | PHASER The classification of the program according to its |
Refinement _software.classification | PHENIX (1.20.1_4487; Paul D. Adams; pdadams@lbl.gov) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 46.246 Unit-cell length a corresponding to the structure reported in 58.305 Unit-cell length b corresponding to the structure reported in 80.732 Unit-cell length c corresponding to the structure reported in 104.08 Unit-cell angle alpha of the reported structure in degrees. 98.59 Unit-cell angle beta of the reported structure in degrees. 90.10 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 23.391 The largest value in angstroms for the interplanar spacings | 2.150 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.100 The smallest value in angstroms for the interplanar spacings | 2.100 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 34624 The number of reflections in the REFLN list (not the DIFFRN_REFLN | 2481 The total number of measured reflections classified as 'observed' |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 2.40 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns_shell.percent_possible_all | - | 71.0 The percentage of geometrically possible reflections represented |
Multiplicity | - | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.972 The Pearson's correlation coefficient expressed as a decimal value | 0.768 The Pearson's correlation coefficient expressed as a decimal value |
Refinement | |
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PDB entry ID _entry.id | 7UTE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-04-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 24.3 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1972 / 0.2209 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | predicted model from AlphaFold |