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 |