9F5E
UP1 in complex with Z30820160
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 | 37.893, 43.977, 56.013 |
| Unit cell angles | 90.00, 94.56, 90.00 |
Refinement procedure
| Resolution | 37.770 - 1.450 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| 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] | 37.770 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.029 | 0.097 |
| Rmeas | 0.041 | 0.138 |
| Rpim | 0.029 | 0.097 |
| Total number of observations | 55673 | 2014 |
| Number of reflections | 32400 | 1490 |
| <I/σ(I)> | 12.8 | 5.3 |
| Completeness [%] | 99.1 | |
| Redundancy | 1.7 | 1.4 |
| CC(1/2) | 0.997 | 0.966 |
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 |
