5O6H
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.138, 178.852, 58.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.000 - 1.290 |
| R-factor | 0.16533 |
| Rwork | 0.164 |
| R-free | 0.19348 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4c2y |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.498 |
| 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] | 89.000 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.062 | 0.651 |
| Rpim | 0.039 | 0.595 |
| Number of reflections | 206823 | 9516 |
| <I/σ(I)> | 14.7 | 1.6 |
| Completeness [%] | 99.1 | 93.1 |
| Redundancy | 6.2 | 3.4 |
| CC(1/2) | 0.999 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.4M Sodium phosphate buffer, 17.5% PEG 3350 |
