28ZP
Crystal structure of human DHX8 in complex with compound 34 and ADP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-26 |
| Detector | DECTRIS PILATUS4 XE CdTe 4M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.152, 167.528, 136.966 |
| Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
| Resolution | 37.370 - 2.570 |
| R-factor | 0.2063 |
| Rwork | 0.204 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (26-JUL-2023)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 136.830 | 136.830 | 2.610 |
| High resolution limit [Å] | 2.570 | 14.080 | 2.570 |
| Rmerge | 0.256 | 0.080 | 2.739 |
| Rmeas | 0.287 | 0.094 | 3.079 |
| Rpim | 0.128 | 0.047 | 1.384 |
| Total number of observations | 473790 | 2751 | 23762 |
| Number of reflections | 94574 | 609 | 4685 |
| <I/σ(I)> | 5.7 | 13.3 | 1.2 |
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 5 | 4.5 | 5.1 |
| CC(1/2) | 0.974 | 0.912 | 0.367 |
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 |
