4AZE
Human DYRK1A in complex with Leucettine L41
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 111.649, 111.649, 301.725 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.570 - 3.150 |
| R-factor | 0.21904 |
| Rwork | 0.218 |
| R-free | 0.24831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.250 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.570 | 3.320 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.170 | 0.970 |
| Number of reflections | 37756 | |
| <I/σ(I)> | 7.5 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 0.03 M MGCL2, 22% POLYACRYLIC ACID 5100, 0.1 M HEPES PH 8.2 |
