2AHV
Crystal Structure of Acyl-CoA transferase from E. coli O157:H7 (YdiF)-thioester complex with CoA- 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.085, 140.240, 112.682 |
| Unit cell angles | 90.00, 108.22, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1862 |
| Rwork | 0.182 |
| R-free | 0.22437 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.183 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 159093 | |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 98.8 | 90.5 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 16% (w/v) PEG 3350, 80 mM Na K tartarate, pH 7.5, Microbatch, temperature 293K |
