5KGA
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant D287N, in complex with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.000, 65.600, 89.900 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.17264 |
| Rwork | 0.170 |
| R-free | 0.22385 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kf1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.850 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.389 |
| Number of reflections | 54576 | |
| <I/σ(I)> | 2.1 | 2.1 |
| Completeness [%] | 98.5 | 95.6 |
| Redundancy | 4.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 8-11% PEG-8000, 100 mM homopipes, 5 mM CoA, 20 mM N-acetylglucosamine |
