5KGH
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant Y297F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-17 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.294, 65.941, 90.449 |
Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.20693 |
Rwork | 0.205 |
R-free | 0.24887 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kf1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.775 |
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 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.379 |
Number of reflections | 66070 | |
<I/σ(I)> | 11.3 | 2.2 |
Completeness [%] | 98.1 | 94.6 |
Redundancy | 6.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 8-11% PEG-8000, 100 mM homopipes, |