7KXM
BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X1A |
| Synchrotron site | NSLS |
| Beamline | X1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-21 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.194, 104.344, 38.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.290 - 1.330 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k2p |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.410 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.059 | 1.450 |
| Number of reflections | 67021 | 67021 |
| <I/σ(I)> | 14.62 | 0.87 |
| Completeness [%] | 99.3 | 96.4 |
| Redundancy | 5.82 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG 3350 0.1 M Bis Tris Propane pH 7.5 0.2 M Sodium acetate trihydrate |
