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 |