6JUU
Crystal structure of ZAK in complex with compound 6r
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.806, 48.509, 42.489 |
| Unit cell angles | 90.00, 105.21, 90.00 |
Refinement procedure
| Resolution | 39.431 - 1.903 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x5o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.898 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 18873 | |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Bis-Tris pH 6.5, 28% PEG2000MME |
