8Q3S
HsNMT1 in complex with both MyrCoA and GNCFSKAR inhibitor peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.900, 179.170, 58.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 1.780 |
| R-factor | 0.1808 |
| Rwork | 0.179 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.844 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 1.830 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rpim | 0.039 | 0.048 |
| Number of reflections | 80129 | 5568 |
| <I/σ(I)> | 12.5 | 1.6 |
| Completeness [%] | 99.3 | 94 |
| Redundancy | 7.4 | 6.8 |
| CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MgCl2, 0.2 M NaCl, 0.1 M sodium citrate pH 5.6, and 18-24% (w/v) PEG 6K or 8K |
