9F1S
Structure of UP1 S4ES6E phosphomimetic mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.150, 44.180, 56.160 |
| Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
| Resolution | 55.990 - 1.500 |
| R-factor | 0.1697 |
| Rwork | 0.169 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.945 |
| 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] | 55.990 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 29879 | 1460 |
| <I/σ(I)> | 23.2 | 7.4 |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 1.9 | 1.8 |
| CC(1/2) | 0.999 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.1 M Tris, 25 % PEG-4000, 20 % 2-Methyl-2,4-pentanediol |
