3OXG
human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III)
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 | 2010-06-23 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97908 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.439, 103.439, 112.202 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.410 |
| R-factor | 0.2253 |
| Rwork | 0.224 |
| R-free | 0.24930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oxf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.130 | 0.649 |
| Number of reflections | 9395 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 20% polyethylene glycol monomethyl ether 550, 0.1M NaCl, 0.1M bicine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
