9WE4
N-methyltransferase 1 complexed with SAH and PDM in Chimonanthus praecox
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.004, 48.267, 83.766 |
| Unit cell angles | 90.00, 101.98, 90.00 |
Refinement procedure
| Resolution | 46.620 - 2.080 |
| R-factor | 0.2333 |
| Rwork | 0.230 |
| R-free | 0.28970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.580 |
| Data reduction software | PROCOR |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.620 | 2.200 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Number of reflections | 40693 | 6301 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 91.8 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.996 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium tartrate dibasic pH7.0, 18% w/v PEG 3350 |
