1RRM
Crystal Structure of Lactaldehyde reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.766, 97.527, 69.514 |
| Unit cell angles | 90.00, 113.63, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| Rwork | 0.193 |
| R-free | 0.21100 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.098 | 0.525 |
| Number of reflections | 93052 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 93.7 | 64.5 |
| Redundancy | 6.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | PEG 3350, Bis-Tris, Sodium Chloride, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
