1B55
PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-02 |
| Detector | MARRESEARCH |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 110.205, 110.205, 215.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.400 |
| R-factor | 0.234 * |
| Rwork | 0.234 |
| R-free | 0.35000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1btk |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.870 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 * | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.044 * | 0.346 * |
| Number of reflections | 25487 | |
| <I/σ(I)> | 11.8 | 2.7 |
| Completeness [%] | 96.5 | 97.6 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.9 | pH 4.9 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 9 (%(w/v)) | |
| 2 | 1 | reservoir | Na acetate | 100 (mM) | |
| 3 | 1 | reservoir | methanol | 10 (%(v/v)) | |
| 4 | 1 | drop | protein | 10 (mg/ml) |
