3IU2
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 58.572, 77.739, 179.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 1.730 |
| R-factor | 0.20795 |
| Rwork | 0.207 |
| R-free | 0.23488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.060 | 0.337 |
| Number of reflections | 84453 | |
| <I/σ(I)> | 20.29 | 4.12 |
| Completeness [%] | 98.1 | 88.2 |
| Redundancy | 6.59 | 4.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 19% PEG3350, 0.2M di-Ammonium hydrogen Citrate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
