2AHW
Crystal Structure of Acyl-CoA transferase from E. coli O157:H7 (YdiF)-thioester complex with CoA- 2
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 | 80.883, 137.095, 110.424 |
| Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.19055 |
| Rwork | 0.186 |
| R-free | 0.23545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.239 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 124447 | |
| <I/σ(I)> | 11.9 | 2.14 |
| Completeness [%] | 98.9 | 95.4 |
| Redundancy | 3.5 | 3 |
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 |
