| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ESRF BEAMLINE ID30B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID30B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-04-22 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.8500 |
| Software | |
Data reduction _software.classification | XDS (VERSION Jan 26, 2018) |
Data scaling _software.classification | Aimless (0.5.28) |
Phasing _software.classification | MOLREP (11.4.06) |
Refinement _software.classification | REFMAC (5.8.0073) |
| 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} | 145.516 151.461 261.347 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.85000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 49.470 | 49.470 | 3.620 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.540 | 16.980 | 3.540 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.111 | 0.056 | 1.119 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.125 | 0.065 | 1.255 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.056 | 0.032 | 0.557 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 348403 | 2571 | 21929 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 70880 | 692 | 4516 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 7.90 | 22.30 | 1.30 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 | 94.7 | 99.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.9 | 3.7 | 4.9 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.997 | 0.994 | 0.465 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6TMU |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-12-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 3.540 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2504 / 0.2747 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | EMD-6492 |