5KJK
SMYD2 in complex with AZ370
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976327 |
| Spacegroup name | I 4 |
| Unit cell lengths | 155.865, 155.865, 52.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 110.210 - 1.930 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s7b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 77.930 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.049 | 0.542 |
| Number of reflections | 45560 | |
| <I/σ(I)> | 13.6 | 1.9 |
| Completeness [%] | 95.9 | 85.2 |
| Redundancy | 2.8 | 2.6 |
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 |
