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 |