4EAA
X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-17 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 115.007, 115.007, 115.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.661 - 1.450 |
| R-factor | 0.18112 |
| Rwork | 0.180 |
| R-free | 0.20990 |
| Starting model (for MR) | 4ea7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.105 |
| 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] | 81.322 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.066 | 0.364 |
| Number of reflections | 44567 | |
| <I/σ(I)> | 14.5 | 2.9 |
| Completeness [%] | 99.2 | 97.4 |
| Redundancy | 9.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25-30% PEG5000 MME, 100 mM HEPES, pH 7.5, 5 mM CoA, 5 mM GDP, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
