2GCE
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.950, 79.580, 117.430 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 19.580 - 1.850 |
| R-factor | 0.20238 |
| Rwork | 0.202 |
| R-free | 0.24644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x74 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.427 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.074 | 0.492 |
| Number of reflections | 134349 | |
| <I/σ(I)> | 13.5 | 2.7 |
| Completeness [%] | 95.0 | 84.2 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 1.52M Ammonium phosphate, 10mM Barium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
