3IWE
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 58.287, 77.654, 179.568 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.430 - 1.790 |
| R-factor | 0.18217 |
| Rwork | 0.180 |
| R-free | 0.21885 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.202 |
| 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] | 200.000 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.079 | 0.233 |
| Number of reflections | 77522 | |
| <I/σ(I)> | 17.98 | 4.62 |
| Completeness [%] | 97.0 | 81.3 |
| Redundancy | 6.51 | 2.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | 19% PEG3350, 0.2 M di-Ammonium hydrogen Citrate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
