1M75
Crystal Structure of the N208S Mutant of L-3-Hydroxyacyl-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.151, 87.597, 158.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.460 - 2.300 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | CRYSTAL (CLEAR/D*TREK) |
| Data scaling software | CrystalClear (D*TREK (MSC/RIGAKU)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.460 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.202 |
| Number of reflections | 31311 | |
| <I/σ(I)> | 14.3 | 7.4 |
| Completeness [%] | 98.1 | 99 |
| Redundancy | 4.81 | 4.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 50 MM N-[2-ACETAMIDO]-2-IMINODIACETIC ACID WITHIN THE PRECIPITANT RANGE OF 14% TO 19% POLYETHYLENE GLYCOL 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
