5HUT
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose
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 | 2014-06-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 64 |
| Unit cell lengths | 98.714, 98.714, 187.653 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.290 - 1.900 |
| R-factor | 0.1705 |
| Rwork | 0.170 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | E. coli OtsA |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.672 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.066 | 0.039 | 0.672 |
| Rmeas | 0.072 | 0.043 | 0.742 |
| Rpim | 0.030 | 0.018 | 0.312 |
| Total number of observations | 469403 | ||
| Number of reflections | 81397 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 99.9 | 99.2 | 99.9 |
| Redundancy | 5.8 | 5.6 | 5.6 |
| CC(1/2) | 0.998 | 0.902 |
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 |
