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 |