28ZM
Crystal structure of human DHX8 in complex with compound 21 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 | 66.660, 167.184, 137.124 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 136.990 - 2.850 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24950 |
| 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] | 136.990 | 136.990 | 2.910 |
| High resolution limit [Å] | 2.850 | 13.670 | 2.850 |
| Rmerge | 0.348 | 0.100 | 2.125 |
| Rmeas | 0.391 | 0.116 | 2.372 |
| Rpim | 0.175 | 0.058 | 1.042 |
| Total number of observations | 350600 | 3028 | 22961 |
| Number of reflections | 69824 | 662 | 4501 |
| <I/σ(I)> | 4.8 | 9.2 | 1.4 |
| Completeness [%] | 99.8 | 99.8 | 99.6 |
| Redundancy | 5 | 4.6 | 5.1 |
| CC(1/2) | 0.878 | 0.981 | 0.327 |
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 |
