5EX0
Crystal structure of human SMYD3 in complex with a MAP3K2 peptide
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 | 2014-12-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.598, 104.181, 117.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.700 |
| R-factor | 0.1803 |
| Rwork | 0.178 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mek |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.798 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.111 | 0.041 | 0.732 |
| Rmeas | 0.121 | 0.045 | 0.800 |
| Rpim | 0.049 | 0.019 | 0.320 |
| Total number of observations | 113209 | ||
| Number of reflections | 18908 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 6 | 5.5 | 6.2 |
| CC(1/2) | 0.997 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 3.4M NaAC |
