5KF8
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-15 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.267, 44.406, 74.419 |
Unit cell angles | 90.00, 121.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.1627 |
Rwork | 0.160 |
R-free | 0.21025 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kf1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.985 |
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 | 0.053 | 0.201 |
Number of reflections | 25315 | |
<I/σ(I)> | 9.5 | 2.6 |
Completeness [%] | 95.1 | 86.4 |
Redundancy | 2.3 | 1.4 |
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 glucosamine |