5O6J
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.918, 177.285, 58.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.000 - 1.450 |
| R-factor | 0.21502 |
| Rwork | 0.213 |
| R-free | 0.24416 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5o6h |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.351 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.067 | 0.814 |
| Rpim | 0.043 | 0.557 |
| Number of reflections | 145112 | 6950 |
| <I/σ(I)> | 15.2 | 2.1 |
| Completeness [%] | 98.6 | 96.6 |
| Redundancy | 6.5 | 5.9 |
| CC(1/2) | 0.998 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.4M Sodium phosphate buffer, 17.5% PEG3350 |
