7LJW
X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2018-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.811, 58.811, 151.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.260 - 1.220 |
| R-factor | 0.1429 |
| Rwork | 0.142 |
| R-free | 0.15660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rqw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.065 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.260 | 1.240 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.110 | 4.479 |
| Rpim | 0.040 | 1.678 |
| Number of reflections | 79816 | 3829 |
| <I/σ(I)> | 8.5 | 0.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 24% Na K Tartrate (w/v), 15% ethylene glycol (v/v), and 0.1 M BisTris Propane |
