5HUV
Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 64 |
| Unit cell lengths | 98.638, 98.638, 186.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.319 - 2.002 |
| R-factor | 0.1465 |
| Rwork | 0.145 |
| R-free | 0.17050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Candida albicans Tps1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.107 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.091 | 0.043 | 0.443 |
| Rmeas | 0.098 | 0.046 | 0.476 |
| Rpim | 0.036 | 0.017 | 0.173 |
| Total number of observations | 514978 | ||
| Number of reflections | 69000 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7.5 | 7.6 | 7.5 |
| CC(1/2) | 0.998 | 0.903 |
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 |
