| 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 HF |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2018-02-24 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | HKL-3000 (3000) |
Data reduction _software.classification | iMOSFLM (7.2.2) |
Data scaling _software.classification | Aimless (0.7.3) |
Phasing _software.classification | PHASER (2.8.2) |
Model building _software.classification | Coot (0.8.9.1) |
Refinement _software.classification | REFMAC (5.8.0238) |
| 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} | 53.04 85.13 55.34 90.00 92.99 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 55.260 |
High resolution limit [Å] _reflns.d_resolution_high | 1.560 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.031 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.040 |
Rpim _reflns.pdbx_Rpim_I_all | 0.024 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 69683 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 30.10 |
Completeness [%] _reflns.percent_possible_obs | 99.8 |
Multiplicity _reflns.pdbx_redundancy | 4.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6JAL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-01-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 55.3 - 1.560 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1271 / 0.1505 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6J9W |