7M0M
HPK1 IN COMPLEX WITH COMPOUND 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 51.168, 56.994, 63.459 |
Unit cell angles | 86.73, 86.63, 67.06 |
Refinement procedure
Resolution | 63.310 - 1.930 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PREVIOUSLY SOLVED STRUCTURE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.587 |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.310 | 2.180 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmeas | 0.051 | 0.576 |
Number of reflections | 48216 | 157 |
<I/σ(I)> | 13.66 | 2.52 |
Completeness [%] | 97.3 | 96.1 |
Redundancy | 2.2 | 2.3 |
CC(1/2) | 0.999 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 20 mM Tris pH 8.0 , 150 mM NaCl , 5% Glycerol , 2 mM DTT |