3LM5
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-17 |
| Detector | MAR225 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 83.380, 83.380, 115.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.490 - 2.290 |
| R-factor | 0.20401 |
| Rwork | 0.200 |
| R-free | 0.28081 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eha |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.457 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.490 | 2.390 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.097 | 0.902 |
| Number of reflections | 18152 | |
| <I/σ(I)> | 12.5 | 2.2 |
| Completeness [%] | 93.2 | 100 |
| Redundancy | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.2M NaCl; 0.1M BIS-TRIS pH 5.5; 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
