5HVM
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A 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 | 2015-11-08 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 83.915, 101.153, 146.992 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.317 - 2.815 |
| R-factor | 0.1795 |
| Rwork | 0.176 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Candida albicans Tps1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.207 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.103 | 0.065 | 0.882 |
| Rmeas | 0.116 | 0.074 | 0.995 |
| Rpim | 0.053 | 0.034 | 0.454 |
| Total number of observations | 147029 | ||
| Number of reflections | 30888 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 99.9 | 99.1 | 100 |
| Redundancy | 4.8 | 4.3 | 4.5 |
| CC(1/2) | 0.991 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M sodium malonate, 0.1 M Tris, 30% PEG 1000 |
