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 |