3VBL
Crystal Structure of the S84C mutant of AntD, an N-acyltransferase from Bacillus cereus in complex with dTDP-4-amino-4,6-dideoxyglucose and Coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-08 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 |
Unit cell lengths | 70.749, 70.749, 138.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.953 - 1.900 |
R-factor | 0.1726 |
Rwork | 0.170 |
R-free | 0.22015 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MIR MODEL |
RMSD bond length | 0.010 |
RMSD bond angle | 2.401 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.953 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.091 | 0.291 |
Number of reflections | 52194 | |
<I/σ(I)> | 8.9 | 2.8 |
Completeness [%] | 97.3 | 92.1 |
Redundancy | 4.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 25% pentaerythritol ethoxylate (3/4 EO/OH), 2% isopropanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |