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 |