5HVL
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-07 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 115.563, 115.563, 282.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.471 - 1.796 |
| R-factor | 0.1794 |
| Rwork | 0.179 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Candida albicans Tps1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.092 | 0.064 | 0.666 |
| Rmeas | 0.098 | 0.068 | 0.701 |
| Rpim | 0.032 | 0.024 | 0.214 |
| Total number of observations | 1073243 | ||
| Number of reflections | 103765 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.6 | 93.7 | 100 |
| Redundancy | 10.3 | 8.2 | 10.7 |
| CC(1/2) | 0.996 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M lithium sulfate, 0.1 M Tris, 40% PEG 400 |
