5HVO
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B 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 | 2015-11-24 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 88.276, 130.581, 184.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.828 - 2.467 |
R-factor | 0.2012 |
Rwork | 0.200 |
R-free | 0.23640 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.205 |
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 | 2.500 |
High resolution limit [Å] | 2.460 | 6.670 | 2.460 |
Rmerge | 0.107 | 0.073 | 0.682 |
Rmeas | 0.120 | 0.082 | 0.780 |
Rpim | 0.054 | 0.037 | 0.370 |
Total number of observations | 371828 | ||
Number of reflections | 74743 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 97.6 | 93.9 | 98.9 |
Redundancy | 5 | 4.8 | 4.3 |
CC(1/2) | 0.988 | 0.640 |
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, 20% PEG 3350 |