2GD0
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 | 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 | 215.740, 79.750, 117.920 |
Unit cell angles | 90.00, 123.14, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.700 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.27554 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x74 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.659 |
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 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 0.293 |
Number of reflections | 179156 | |
<I/σ(I)> | 14.2 | 4.8 |
Completeness [%] | 97.2 | 96.4 |
Redundancy | 3.8 |
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 |