28ZI
Crystal structure of human DHX8 in complex with compound 1 and ADP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-11 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.814, 167.024, 137.127 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 49.290 - 2.650 |
| R-factor | 0.206 |
| Rwork | 0.205 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (26-JUL-2023)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.290 | 49.290 | 2.700 |
| High resolution limit [Å] | 2.650 | 14.270 | 2.650 |
| Rmerge | 0.119 | 0.039 | 1.476 |
| Rmeas | 0.141 | 0.045 | 1.774 |
| Rpim | 0.075 | 0.023 | 0.974 |
| Total number of observations | 304573 | 2084 | 14538 |
| Number of reflections | 87045 | 576 | 4444 |
| <I/σ(I)> | 6.7 | 19.6 | 0.9 |
| Completeness [%] | 99.9 | 97.7 | 100 |
| Redundancy | 3.5 | 3.6 | 3.3 |
| CC(1/2) | 0.995 | 0.999 | 0.328 |
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 |
