28ZL
Crystal structure of human DHX8 in complex with compound 6 and ADP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9780 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.662, 167.133, 137.389 |
| Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
| Resolution | 137.250 - 2.690 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (26-JUL-2023)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 167.130 | 167.130 | 2.740 |
| High resolution limit [Å] | 2.690 | 13.980 | 2.690 |
| Rmerge | 0.239 | 0.064 | 1.541 |
| Rmeas | 0.271 | 0.075 | 1.762 |
| Rpim | 0.125 | 0.037 | 0.839 |
| Total number of observations | 371625 | 2617 | 19238 |
| Number of reflections | 83256 | 626 | 4561 |
| <I/σ(I)> | 5 | 10.8 | 1.3 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 4.5 | 4.2 | 4.2 |
| CC(1/2) | 0.981 | 0.987 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.5 microliter of DHX8del547 at 3 mg/mL with 1 mM ADP and 1 mM MgCl2, plus 1.5 microliter of a crystallisation solution consisting of 15% (v/v) MPD, 100 mM Sodium Acetate pH 5.5 and 6% (v/v) DMSO, against 250 microliter of crystallisation solution |
