8Q23
HsNMT1 in complex with both MyrCoA and Ac-D-ORN-SFSKPR inhibitor peptide
This is a non-PDB format compatible entry.
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 | 79.815, 179.102, 58.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.900 - 1.900 |
| R-factor | 0.1597 |
| Rwork | 0.158 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 509T |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.940 |
| 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] | 48.900 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.021 | 0.176 |
| Number of reflections | 127180 | 4263 |
| <I/σ(I)> | 21.6 | 5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 14.9 | 15 |
| CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 19% PEG6K, 0.1M Sodium citrate, 0.1 MgCl2, 0.1 M NaCl |
