9T0T
Crystal Structure of the correct enantiomer bound to the PH domain of Btk
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.988, 66.656, 79.860 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 24.660 - 1.730 |
| R-factor | 0.2492 |
| Rwork | 0.248 |
| R-free | 0.30150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (10-JUL-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.930 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.080 | 4.947 |
| Rmeas | 0.087 | 5.339 |
| Rpim | 0.033 | 1.994 |
| Total number of observations | 523123 | 26377 |
| Number of reflections | 74878 | 3698 |
| <I/σ(I)> | 13.2 | 0.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.998 | 0.323 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M TRIS, 32.5% w/v PEG 3350, 200mM MgCl2 |
