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 |