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 |