5KGP
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with chitosan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-08 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.147, 65.776, 90.803 |
| Unit cell angles | 90.00, 106.95, 90.00 |
Refinement procedure
| Resolution | 86.860 - 1.800 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kf1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.821 |
| 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] | 86.860 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.282 |
| Number of reflections | 63868 | |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 96.6 | 90.5 |
| Redundancy | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 7-11% PEG-8000, 100 mM HEPES, 20 mM chitosan |
