5KJN
SMYD2 in complex with AZ506
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9730 |
| Spacegroup name | I 4 |
| Unit cell lengths | 154.871, 154.871, 52.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.760 - 2.720 |
| R-factor | 0.165 |
| Rwork | 0.162 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s7b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.760 | 2.870 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.065 | 0.444 |
| Number of reflections | 16689 | |
| <I/σ(I)> | 12.4 | 1.6 |
| Completeness [%] | 98.6 | 92.4 |
| Redundancy | 3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.1 M Tris-HCl, 5% ethanol |
