28ZK
Crystal structure of human DHX8 in complex with compound 5 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 | 2018-04-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.924, 167.162, 137.287 |
| Unit cell angles | 90.00, 92.57, 90.00 |
Refinement procedure
| Resolution | 62.080 - 2.640 |
| R-factor | 0.2081 |
| Rwork | 0.206 |
| R-free | 0.24490 |
| 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] | 62.080 | 62.080 | 2.690 |
| High resolution limit [Å] | 2.640 | 14.220 | 2.640 |
| Rmerge | 0.157 | 0.039 | 0.962 |
| Rmeas | 0.175 | 0.044 | 1.073 |
| Rpim | 0.076 | 0.021 | 0.470 |
| Total number of observations | 450936 | 2757 | 22860 |
| Number of reflections | 88355 | 591 | 4511 |
| <I/σ(I)> | 6.9 | 21.5 | 1.5 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 5.1 | 4.7 | 5.1 |
| CC(1/2) | 0.995 | 0.999 | 0.362 |
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 |
