5X5O
Crystal structure of ZAK in complex with compound D2829
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2017-01-14 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.057, 48.501, 42.625 |
| Unit cell angles | 90.00, 105.48, 90.00 |
Refinement procedure
| Resolution | 45.277 - 1.868 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.22640 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.942 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.870 |
| Number of reflections | 20966 |
| <I/σ(I)> | 18 |
| Completeness [%] | 97.2 |
| Redundancy | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M Trimethylamine N-oxide dehydrate, 0.1 M Tris, 20% w/v Polyethylene glycol monomethyl ether 2000, pH8.5 |
