3VBN
Crystal Structure of the D94A mutant of AntD, an N-acyltransferase from Bacillus cereus in complex with dTDP 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 | 2011-08-29 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 |
Unit cell lengths | 71.076, 71.076, 137.749 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.599 - 2.500 |
R-factor | 0.19993 |
Rwork | 0.196 |
R-free | 0.27688 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MIR MODEL |
RMSD bond length | 0.011 |
RMSD bond angle | 2.211 |
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] | 40.599 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.151 | 0.380 |
Number of reflections | 22486 | |
<I/σ(I)> | 5.9 | 1.6 |
Completeness [%] | 94.4 | 80.7 |
Redundancy | 4 | 1.4 |
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 |