6QHU
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
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 | 2017-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0089 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.370, 78.630, 83.540 |
| Unit cell angles | 90.00, 102.74, 90.00 |
Refinement procedure
| Resolution | 19.997 - 1.730 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.465 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.500 | 1.840 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 53372 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.1 | |
| Redundancy | 43.1 | |
| CC(1/2) | 0.942 |
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 8.5 |
