7KXP
BTK1 SOAKED WITH COMPOUND 25
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 | 2017-05-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.327, 105.360, 39.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.730 - 1.830 |
R-factor | 0.1772 |
Rwork | 0.173 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k2p |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
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] | 60.730 | 1.690 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.051 | 0.748 |
Number of reflections | 42213 | 42213 |
<I/σ(I)> | 18.51 | 1.74 |
Completeness [%] | 99.0 | 99.3 |
Redundancy | 3.64 | 3.62 |
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 |