9F54
UP1 in complex with EN300-197154
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.065, 43.889, 56.104 |
| Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
| Resolution | 37.960 - 1.700 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.907 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.960 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.033 | 0.144 |
| Rmeas | 0.046 | 0.203 |
| Rpim | 0.033 | 0.144 |
| Total number of observations | 37808 | 1824 |
| Number of reflections | 20474 | 1064 |
| <I/σ(I)> | 13.9 | 5 |
| Completeness [%] | 99.9 | |
| Redundancy | 1.8 | 1.7 |
| CC(1/2) | 0.998 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M Tris-HCl, pH 8.50, 25% PEG-4000, 8% 2-Methyl-2,4-pentanediol |
