6HNV
Crystal structure of aminotransferase Aro9 from C. Albicans with ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.89429 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.570, 88.540, 160.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.530 - 2.600 |
R-factor | 0.20159 |
Rwork | 0.199 |
R-free | 0.27971 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.584 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.760 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.178 | 0.904 |
Number of reflections | 31584 | 5145 |
<I/σ(I)> | 9.22 | 2.05 |
Completeness [%] | 94.0 | 95.7 |
Redundancy | 4.7 | 4.7 |
CC(1/2) | 0.992 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.06 M MgCl2, 0.06 M CaCl2, 0.1 M Tris (base): BICINE pH 8.5, 12.5% v/v MPD, 12.5% PEG 1000, 12.5% w/v PEG 3350 |