3NTV
Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.383, 65.441, 70.468 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 39.020 - 1.550 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20460 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.460 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.059 | 0.245 |
| Number of reflections | 49771 | |
| <I/σ(I)> | 12.36 | 2.29 |
| Completeness [%] | 81.2 | 39.2 |
| Redundancy | 2.84 | 0.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 293 | 26% PEG4K, 0.2M lithium sulfate, 0.1M Tris-HCl, pH 9.0, VAPOR DIFFUSION, temperature 293K |
