8Q24
HsNMT1 in complex with both MyrCoA and (DAB)SFSKPR inhibitor peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97563 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.739, 177.986, 58.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.750 - 1.900 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o9t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.943 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.750 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.023 | 0.233 |
| Number of reflections | 124527 | 4176 |
| <I/σ(I)> | 25 | 4.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.8 | 13.1 |
| CC(1/2) | 1.000 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 22% PEG6K, 100mM Sodium Citrate pH 5.6, 0.1 M MgCL2, 0.1 M NaCl |
