7KXL
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 | 2016-01-07 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.820, 103.840, 38.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.080 - 1.840 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.22900 |
| 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) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.840 | 1.850 |
| Rmerge | 0.140 | 1.321 |
| Number of reflections | 25226 | 25226 |
| <I/σ(I)> | 9.53 | 1.23 |
| Completeness [%] | 97.9 | 92 |
| Redundancy | 5.65 | 4.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG3350, 0.1M Bis Tris Propane, pH 7.5, 0.2M sodium acetate trihydrate |
