3RIB
Human lysine methyltransferase Smyd2 in complex with AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.2825 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 194.560, 57.185, 96.607 |
| Unit cell angles | 90.00, 103.95, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.790 |
| R-factor | 0.2485 |
| Rwork | 0.246 |
| R-free | 0.29980 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.946 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX-AutoSol |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.790 | 6.030 | 2.800 |
| Rmerge | 0.143 | 0.058 | 0.669 |
| Number of reflections | 25466 | ||
| <I/σ(I)> | 8.6 | 2.8 | |
| Completeness [%] | 99.4 | 99.7 | 97.8 |
| Redundancy | 7.5 | 8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6.5 | 277 | 25% PEG 3350, 0.2M Lithium Sulfate, 0.1M Bis-Tris, pH 6.5, hanging drop, temperature 277K |
