1ZMT
Structure of haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (R)-para-nitro styrene oxide, with a water molecule in the halide-binding site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.444, 72.041, 97.420 |
| Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
| Resolution | 27.200 - 1.700 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 110598 | |
| Completeness [%] | 99.4 | 95.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | 100 mM bis-Tris buffer, 50% Ammonium sulfate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
