4GYL
The E142L mutant of the amidase from Geobacillus pallidus showing the result of Michael addition of acrylamide at the active site cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-22 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.542 |
Spacegroup name | P 42 3 2 |
Unit cell lengths | 130.490, 130.490, 130.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.230 - 1.900 |
R-factor | 0.1643 |
Rwork | 0.163 |
R-free | 0.18660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.075 |
Data reduction software | d*TREK (9.9.9.5L) |
Data scaling software | d*TREK |
Phasing software | REFMAC (5.7.0029) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.230 | 24.230 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.246 | 0.110 | 0.688 |
Total number of observations | 58012 | 19427 | |
Number of reflections | 30455 | ||
<I/σ(I)> | 7.8 | 16.8 | 2.1 |
Completeness [%] | 99.9 | 99.7 | 99.1 |
Redundancy | 15.98 | 17.52 | 6.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 1.2M sodium citrate, 0.4M sodium chloride, 0.1M sodium acetate, pH 5.6, vapor diffusion, hanging drop, temperature 294K |