| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU MICROMAX-007 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2014-07-31 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Model building _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.20.1_4487) |
| 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} | 30.984 80.753 54.032 90.00 90.47 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 80.940 | 2.579 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.439 | 2.490 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.046 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.070 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 8923 | 880 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 19.58 | - |
Completeness [%] _reflns.percent_possible_obs | 94.7 | - |
Multiplicity _reflns.pdbx_redundancy | 5.8 | - |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.978 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7ULB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-04-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.4 - 2.490 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2174 / 0.2666 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5DU1 |