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 |