6I8L
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96871 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 115.350, 115.350, 43.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.861 - 1.580 |
R-factor | 0.1882 |
Rwork | 0.187 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mzg |
RMSD bond length | 0.019 |
RMSD bond angle | 1.475 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.861 | 34.860 | 1.620 |
High resolution limit [Å] | 1.580 | 7.070 | 1.580 |
Rmerge | 0.097 | 0.025 | 2.215 |
Rmeas | 0.102 | 0.026 | 2.305 |
Rpim | 0.028 | 0.008 | 0.635 |
Number of reflections | 41079 | 550 | 3007 |
<I/σ(I)> | 15 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 12.8 | 10.8 | 13.1 |
CC(1/2) | 0.999 | 1.000 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 55% MPD and 0.1 M SPG buffer |