7RSJ
Structure of the VPS34 kinase domain with compound 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 61.302, 107.386, 110.502 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.011 - 1.881 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO |
Data reduction software | XDS (BUILT=20190315) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 110.500 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.099 | 1.450 |
Number of reflections | 59229 | 32696 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 98.7 | 86 |
Redundancy | 6.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.2M Potassium/Sodium tartrate 0.1M Bis-Tris propane pH7.5, 20% PEG3350 0.7% v/v 1-butanol |