6TDH
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2019-10-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.641, 102.510, 56.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.460 - 1.580 |
| R-factor | 0.2015 |
| Rwork | 0.200 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vez |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.894 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.460 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmeas | 0.067 | 0.014 |
| Number of reflections | 26623 | 2681 |
| <I/σ(I)> | 11.8 | 0.7 |
| Completeness [%] | 97.0 | 100 |
| Redundancy | 5.6 | 3.8 |
| CC(1/2) | 1.000 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1. 10% peg 1000, 10% peg8000 2. 30% peg 1500 |
