2GD6
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 | 2004-06-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.910, 79.940, 118.390 |
| Unit cell angles | 90.00, 91.03, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.300 |
| R-factor | 0.21922 |
| Rwork | 0.219 |
| R-free | 0.26964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x74 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.398 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.085 | 0.304 |
| Number of reflections | 100339 | |
| <I/σ(I)> | 13.8 | 3.9 |
| Completeness [%] | 94.6 | 65.9 |
| Redundancy | 4.6 |
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 |
