4Z9F
Halohydrin hydrogen-halide-lyase, HheA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.818, 59.882, 133.734 |
| Unit cell angles | 85.39, 83.11, 80.32 |
Refinement procedure
| Resolution | 29.139 - 1.750 |
| R-factor | 0.1911 |
| Rwork | 0.189 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.878 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10-2152-000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.090 | 0.290 |
| Number of reflections | 168566 | |
| <I/σ(I)> | 14.5 | 3.9 |
| Completeness [%] | 92.1 | 87.5 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | polyethylene glycol 4000, calcium chloride |
