6QPL
Crystal structure of Spindlin1 in complex with the inhibitor MS31
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 | 2017-11-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 115.300, 115.300, 43.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.773 - 1.600 |
| R-factor | 0.1907 |
| Rwork | 0.190 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i8l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.867 |
| 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] | 43.590 | 43.590 | 1.640 |
| High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
| Rmerge | 0.117 | 0.047 | 1.695 |
| Rmeas | 0.122 | 0.050 | 1.786 |
| Rpim | 0.034 | 0.015 | 0.556 |
| Total number of observations | 500260 | 5721 | 28900 |
| Number of reflections | 39340 | 529 | 2858 |
| <I/σ(I)> | 11.9 | 35.8 | 1.1 |
| Completeness [%] | 99.8 | 99.4 | 99.5 |
| Redundancy | 12.7 | 10.8 | 10.1 |
| CC(1/2) | 0.999 | 0.999 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 60% MPD and 0.1 M SPG buffer pH 6.0 |
