6TDG
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2017-08-31 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.210, 101.200, 56.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.690 - 1.740 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vez |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.895 |
| 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] | 57.700 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 20528 | 26623 |
| <I/σ(I)> | 16.2 | 2.3 |
| Completeness [%] | 97.0 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1. 10% peg 1000, 10% peg 8000 2. 30% peg 1500 |
