7A41
MALT1 in complex with a NVS-MALT1 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99996 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.210, 106.570, 73.680 |
| Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
| Resolution | 57.560 - 2.130 |
| R-factor | 0.2016 |
| Rwork | 0.200 |
| R-free | 0.22980 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yn8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS (1.1.5) |
| Data scaling software | Aimless (0.3.3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.391 | 68.391 | 2.138 |
| High resolution limit [Å] | 2.130 | 9.879 | 2.130 |
| Rmerge | 0.041 | 0.018 | 0.535 |
| Rmeas | 0.049 | 0.022 | 0.634 |
| Rpim | 0.026 | 0.011 | 0.337 |
| Total number of observations | 171768 | 1897 | 1830 |
| Number of reflections | 51061 | 539 | 522 |
| <I/σ(I)> | 16.9 | 47.2 | 2 |
| Completeness [%] | 99.3 | 98.4 | 99.2 |
| Redundancy | 3.4 | 3.5 | 3.5 |
| CC(1/2) | 0.999 | 1.000 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Magnesium formate dehydrate 15% w/v PEG3550 |
