7KXQ
BTK1 SOAKED WITH COMPOUND 30
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 | 2017-04-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.514, 103.045, 38.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.300 - 1.380 |
| R-factor | 0.1536 |
| Rwork | 0.151 |
| R-free | 0.18230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k2p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.112 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.300 | 1.280 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.044 | 0.919 |
| Number of reflections | 88625 | 88625 |
| <I/σ(I)> | 19.54 | 1.94 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.87 | 6.62 |
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 |
