| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | BRUKER IMUS MICROFOCUS |
Temperature [K] _diffrn.ambient_temp | 293.15 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-10-23 |
Detector _diffrn_detector.type | APEX II CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54184 |
| Software | |
Data collection _software.classification | APEX 2 (2014.11-0) |
Data reduction _software.classification | SAINT (V8.18C) |
Data scaling _software.classification | SADABS (2008/1) |
Phasing _software.classification | PHASER (2.7.16) |
Model building #1 _software.classification | PHENIX (1.11.1_2575) |
Model building #2 _software.classification | Coot (0.8.6.1) |
Refinement _software.classification | PHENIX (1.11.1_2575) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 35.766 41.526 46.487 89.992 67.921 76.062 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54184 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 32.342 | 32.346 | 1.933 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 5.151 | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.144 | 0.074 | 0.833 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.150 | - | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.040 | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 18859 | 932 | 925 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 12.93 | 46.92 | 1.56 |
Completeness [%] _reflns.percent_possible_obs | 100.0 | - | - |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 13.1 | 20.0 | 4.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.997 | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6F0D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-11-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 32.3 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1738 / 0.2176 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6EZW |