9F4X
UP1 in complex with Z1220452176
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 | 38.063, 43.855, 55.951 |
| Unit cell angles | 90.00, 93.90, 90.00 |
Refinement procedure
| Resolution | 37.970 - 1.600 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.20750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.914 |
| 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] | 37.970 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.042 | 0.140 |
| Rmeas | 0.059 | 0.198 |
| Rpim | 0.042 | 0.140 |
| Total number of observations | 44292 | 1939 |
| Number of reflections | 24400 | 1201 |
| <I/σ(I)> | 12 | 5.1 |
| Completeness [%] | 99.8 | |
| Redundancy | 1.8 | 1.6 |
| CC(1/2) | 0.996 | 0.939 |
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 |
