1M76
Crystal Structure of the S137C 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 | 2002-06-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.392, 87.992, 158.972 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.210 - 2.150 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.500 |
| 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] | 31.210 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.055 | 0.175 |
| Number of reflections | 38752 | |
| <I/σ(I)> | 15.2 | 6.6 |
| Completeness [%] | 98.5 | 99.5 |
| Redundancy | 4.02 | 4 |
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 |
