| 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 08ID-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CLSI |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 08ID-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-05-28 |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97949 |
| Software | |
Data scaling _software.classification | Aimless (0.5.12) |
Refinement _software.classification | BUSTER (2.10.2) |
| 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} | 47.969 72.815 65.528 90.00 99.53 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97949 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 48.330 | 48.330 | 2.050 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 8.930 | 2.000 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.039 | 0.460 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.045 | 0.530 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.023 | 0.259 |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs | 30132 | - | - |
| <I/σ(I)> | - | - | - |
Completeness [%] _reflns_shell.percent_possible_all | - | 99.7 | 94.1 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 4.0 | 4.0 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.996 | 0.912 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5W80 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-06-21 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.3 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1850 / 0.2370 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 4IH8 |