7OWM
HsNMT1 in complex with both MyrCoA and HCPA substrate peptide GKQNSKLR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98400 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.879, 178.380, 58.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.770 - 1.500 |
| R-factor | 0.1564 |
| Rwork | 0.154 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o9t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.874 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.773 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.115 | 1.532 |
| Rpim | 0.032 | 0.541 |
| Number of reflections | 128545 | 6425 |
| <I/σ(I)> | 12.2 | 1.4 |
| Completeness [%] | 98.4 | 97.8 |
| Redundancy | 13.9 | 8.9 |
| CC(1/2) | 0.998 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 20% PEG8K, 100mM Sodium Citrate pH 5.6, 100mM MgCl2, 100mM NaCl |
