2GCI
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an asparte/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.700, 79.810, 118.060 |
| Unit cell angles | 90.00, 89.93, 90.00 |
Refinement procedure
| Resolution | 19.830 - 1.600 |
| R-factor | 0.21015 |
| Rwork | 0.210 |
| R-free | 0.24413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x74 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.557 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.063 | 0.274 |
| Number of reflections | 214258 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 97.0 | 94 |
| Redundancy | 4.8 | 61537 |
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 |
