| 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 | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Australian Synchrotron |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MX1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-07-13 |
Detector _diffrn_detector.type | ADSC QUANTUM 210r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9537 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | MOLREP |
Refinement _software.classification | PHENIX (1.11.1_2575: ???) |
| 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} | 35.420 76.883 106.935 90.00 92.54 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.95370 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 36.171 | 1.944 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.877 | 1.877 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.053 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.074 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.053 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 46635 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.02 | - |
Completeness [%] _reflns.percent_possible_obs | 99.5 | - |
Multiplicity _reflns.pdbx_redundancy | 2.0 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.998 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6N6N |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-11-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 36.2 - 1.877 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1948 / 0.2434 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6CQP |