| 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 | CLSI BEAMLINE 08B1-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CLSI |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 08B1-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-10-03 |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97952 |
| Software | |
Data collection _software.classification | MxDC |
Data processing #1 _software.classification | TRUNCATE (1.17.25) |
Data processing #2 _software.classification | Aimless |
Data reduction _software.classification | MOSFLM (7.2.2) |
Data scaling #1 _software.classification | Aimless (0.5.32) |
Data scaling #2 _software.classification | Aimless |
Phasing _software.classification | PHASER (2.8.0) |
Model building _software.classification | Coot (0.8.9) |
Refinement _software.classification | PHENIX (1.12_2829) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 75.330 75.330 115.331 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97952 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 65.240 | 2.050 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.133 | 1.898 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.094 | - |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.038 | 0.550 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 26181 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.70 | - |
Completeness [%] _reflns.percent_possible_obs | 100.0 | - |
Multiplicity _reflns.pdbx_redundancy | 11.1 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.938 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6DA1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-05-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 56.8 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2158 / 0.2478 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1MD0 |