6QHP
Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2017-04-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0089 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.400, 78.670, 83.590 |
| Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
| Resolution | 19.924 - 1.800 |
| R-factor | 0.2203 |
| Rwork | 0.218 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.535 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.540 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 48230 | 48238 |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 293 | 18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8. |
