6TDF
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3
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 | 2017-11-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.960, 101.710, 55.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.200 - 2.010 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vez |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.809 |
| 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] | 58.200 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 13064 | 13064 |
| <I/σ(I)> | 14.5 | 2.4 |
| Completeness [%] | 94.6 | |
| Redundancy | 4 | 4.2 |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1. 10% peg 1000, 10%peg 8000 2. 30% peg1500 |
