9F4R
UP1 in complex with Z802821712
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 | 38.106, 44.045, 56.217 |
| Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
| Resolution | 56.060 - 1.590 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.936 |
| 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] | 56.060 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.092 | 0.395 |
| Rmeas | 0.113 | 0.515 |
| Rpim | 0.064 | 0.327 |
| Total number of observations | 70187 | 2560 |
| Number of reflections | 25086 | 1203 |
| <I/σ(I)> | 8.9 | 1.1 |
| Completeness [%] | 99.3 | |
| Redundancy | 2.8 | 2.1 |
| CC(1/2) | 0.981 | 0.797 |
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 |
