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 |