7OWQ
HsNMT1 in complex with both MyrCoA and peptide N-Methylated-GNCFSKPR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-08 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.96775 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.655, 58.876, 154.207 |
| Unit cell angles | 90.00, 92.06, 90.00 |
Refinement procedure
| Resolution | 47.690 - 3.000 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o9v |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.700 |
| 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] | 47.690 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rpim | 0.058 | 0.265 |
| Number of reflections | 32321 | 2710 |
| <I/σ(I)> | 11.2 | 3 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 6.3 | 5.9 |
| CC(1/2) | 0.993 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 21% PEG 8K, 0.1M sodum citrate, 0.1 M MgCl2, 0.2M NaCl |
