3VBK
Crystal Structure of the S84A 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 | 2011-08-08 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 |
| Unit cell lengths | 71.254, 71.254, 138.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.730 - 2.200 |
| R-factor | 0.18766 |
| Rwork | 0.184 |
| R-free | 0.24956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE MIR MODEL |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.276 |
| 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] | 40.730 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 | 0.189 |
| Number of reflections | 33434 | |
| <I/σ(I)> | 14.4 | 3.1 |
| Completeness [%] | 95.3 | 86.7 |
| Redundancy | 4.1 | 2 |
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 |
