5KF9
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9876 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.314, 44.607, 74.197 |
| Unit cell angles | 90.00, 120.90, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.490 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kf1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.989 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.066 | 0.377 |
| Number of reflections | 53438 | |
| <I/σ(I)> | 48.4 | 6.3 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 4.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 7-10% PEG-5000, 100 mM HEPPS, 5 mM CoA, 20 mM N-acetylglucosamine |
