4IA5
Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98140 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 168.750, 78.970, 108.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.791 - 2.220 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25850 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.194 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.320 |
| High resolution limit [Å] | 2.220 | 17.000 | 2.220 |
| Rmerge | 0.045 | 0.029 | 0.187 |
| Rmeas | 0.034 | 0.252 | |
| Number of reflections | 122663 | 279 | 9536 |
| <I/σ(I)> | 17.76 | 36.71 | 3.9 |
| Completeness [%] | 88.4 | 93.6 | 55.6 |
| Redundancy | 3.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 298 | 37% MPD, 0.1M Hepes/KOH, 10mM Phenol, 3.6mM linoleic acid, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
