7OCB
Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 115.477, 115.477, 43.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.655 - 1.420 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i8l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.197 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.670 | 81.660 | 1.460 |
| High resolution limit [Å] | 1.420 | 81.660 | 1.420 |
| Rmerge | 0.105 | 0.063 | 1.272 |
| Rmeas | 0.110 | 0.066 | 1.377 |
| Rpim | 0.032 | 0.021 | 0.522 |
| Total number of observations | 603240 | ||
| Number of reflections | 56337 | 746 | 4093 |
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 10.7 | 10.8 | 6.8 |
| CC(1/2) | 0.993 | 0.925 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 55-60 % MPD and 0.1 M SPG buffer pH 5.5-6.0 |
