8RXR
Crystal structure of VPS34 in complex with inhibitor SB02024
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97802 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 288.824, 98.650, 62.895 |
| Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
| Resolution | 49.374 - 2.060 |
| Rwork | 0.182 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.374 | 2.130 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.055 | 0.900 |
| Rmeas | 0.070 | 1.164 |
| Rpim | 0.043 | 0.730 |
| Number of reflections | 108408 | 10600 |
| <I/σ(I)> | 12.6 | 1.4 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 4.5 | 4.4 |
| CC(1/2) | 0.999 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 22.5 % PEG3350, 0.2 M ammonium acetate, 0.1 M HEPES pH 8.0 |
