4IA6
Hydratase from lactobacillus acidophilus in a ligand bound form (LA 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) | 0.97977 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 165.100, 77.740, 104.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.725 - 1.800 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.19150 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.376 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 17.000 | 1.800 |
Rmerge | 0.096 | 0.019 | 0.652 |
Rmeas | 0.023 | 0.751 | |
Number of reflections | 122391 | 164 | 15622 |
<I/σ(I)> | 13.87 | 46.51 | 2.36 |
Completeness [%] | 97.6 | 86.8 | 84.1 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 298 | 37-38% MPD, 0.1M Hepes/KOH, 20mM NaBr, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 298K |