6CEN
Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2016-02-03 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.870, 62.660, 48.600 |
| Unit cell angles | 90.00, 107.92, 90.00 |
Refinement procedure
| Resolution | 46.290 - 1.610 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.21510 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.644 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.290 | 1.690 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 29790 | |
| <I/σ(I)> | 20.48 | |
| Completeness [%] | 93.8 | |
| Redundancy | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M Bis-Tris pH 6.5, 20% w/v PEG5000MME |
