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 |