| 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 | APS BEAMLINE 21-ID-F |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-F |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2010-10-10 |
Detector _diffrn_detector.type | MARMOSAIC 225 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9787 |
| Software | |
Data collection _software.classification | MD2 (MD-2 diffractometer software from EMBL (with LS-CAT developed extensions)) |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | SHELXDE |
Refinement _software.classification | SHELXL |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 34.951 46.239 82.928 90.00 100.09 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97870 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 27.600 |
High resolution limit [Å] _reflns.d_resolution_high | 1.200 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 40705 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 32.34 |
Completeness [%] _reflns.percent_possible_obs | 99.8 |
Multiplicity _reflns.pdbx_redundancy | 4.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5V1L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-03-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.6 - 1.200 Å |
Rfree _refine.ls_R_factor_R_free | 0.1530 WARNING: no Rwork given (but Rfree)!? |