6I8B
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976250 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 111.875, 118.583, 43.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.093 - 1.760 |
R-factor | 0.2341 |
Rwork | 0.233 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mzg |
RMSD bond length | 0.005 |
RMSD bond angle | 0.721 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.093 | 41.090 | 1.850 |
High resolution limit [Å] | 1.760 | 5.560 | 1.760 |
Rmerge | 0.139 | 0.055 | 1.608 |
Rmeas | 0.153 | 0.060 | 1.786 |
Rpim | 0.064 | 0.025 | 0.762 |
Number of reflections | 58414 | 2015 | 8373 |
<I/σ(I)> | 6.6 | ||
Completeness [%] | 99.6 | 98.6 | 99.5 |
Redundancy | 5.2 | 4.7 | 5.2 |
CC(1/2) | 0.997 | 0.998 | 0.423 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 55% MPD and 0.1 M SPG buffer pH 5.5 |