6QTY
Non-phosphorylated human CLK1 in complex with an indole inhibitor to 1.65 Ang
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 | 2013-09-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 68.764, 68.764, 285.004 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.550 - 1.650 |
| R-factor | 0.13887 |
| Rwork | 0.135 |
| R-free | 0.20316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vag |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.859 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 49449 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 273 | 24% PEG 3350, 200mM MgCl2, 100mM Bis-Tris (pH 6.5) |
