4I1R
Human MALT1 (caspase-IG3) in complex with thioridazine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.838, 70.608, 57.525 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 41.090 - 2.700 |
| R-factor | 0.205 |
| Rwork | 0.201 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.230 |
| Data reduction software | DENZO |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.090 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 1667 | |
| Completeness [%] | 98.6 | 97.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | 200 M magnesium formate, 13 % PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
