| 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 | SLS BEAMLINE X06DA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06DA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2015-11-26 |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.00 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | autoPROC |
Data scaling #2 _software.classification | STARANISO |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC |
| 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} | 78.488 81.064 90.015 68.64 88.94 62.56 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 58.642 | 68.509 | 2.995 |
High resolution limit [Å] _reflns_shell.d_res_high | - | 8.531 | 2.689 |
| - | - | - | |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.046 | 0.889 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.054 | 1.046 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.028 | 0.546 |
| Total number of observations | - | - | - |
Total number unique _reflns_shell.number_unique_obs | - | 1558 | 1558 |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 22.00 | 1.40 |
Completeness [%] _reflns_shell.percent_possible_all | - | 99.1 | 49.1 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 3.8 | 3.6 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.997 | 0.577 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6FVO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-03-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 58.6 - 2.689 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2096 / 0.2584 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4TR7 |