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 |