9F4T
UP1 in complex with EN300-805013
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 | 37.979, 43.838, 56.109 |
| Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
| Resolution | 37.880 - 1.420 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.115 |
| 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] | 37.880 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.052 | 0.469 |
| Rmeas | 0.073 | 0.663 |
| Rpim | 0.052 | 0.469 |
| Total number of observations | 58854 | 2122 |
| Number of reflections | 34417 | 1570 |
| <I/σ(I)> | 6.2 | 1.1 |
| Completeness [%] | 98.6 | |
| Redundancy | 1.7 | 1.4 |
| CC(1/2) | 0.996 | 0.668 |
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 |
