3VBP
Crystal Structure of the D94N 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 | 2011-08-22 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 |
Unit cell lengths | 71.339, 71.339, 138.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.741 - 2.300 |
R-factor | 0.19219 |
Rwork | 0.189 |
R-free | 0.25856 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE MIR MODEL |
RMSD bond length | 0.010 |
RMSD bond angle | 2.322 |
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] | 40.741 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.311 |
Number of reflections | 29979 | |
<I/σ(I)> | 8.2 | 2.7 |
Completeness [%] | 97.5 | 92.8 |
Redundancy | 4.4 | 2.7 |
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 |