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 |