6HT2
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-10 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.700, 53.500, 71.600 |
| Unit cell angles | 90.00, 99.00, 90.00 |
Refinement procedure
| Resolution | 31.330 - 2.600 |
| R-factor | 0.20117 |
| Rwork | 0.199 |
| R-free | 0.25239 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b2k |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.494 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.237 | 0.839 |
| Number of reflections | 12579 | 5529 |
| <I/σ(I)> | 5.3 | 2.7 |
| Completeness [%] | 76.6 | 79.1 |
| Redundancy | 3.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.5 M SODIUM CHLORIDE |
