3V4O
Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.500, 77.500, 180.493 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.860 - 2.100 |
| R-factor | 0.17856 |
| Rwork | 0.176 |
| R-free | 0.22827 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pyo |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.110 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.095 | 0.536 |
| Number of reflections | 19456 | |
| <I/σ(I)> | 13.2 | 3.6 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 20% PeG3550, 0.4 Ammonium nitrate, 0.1M Bis-tris propane, VAPOR DIFFUSION, temperature 298K, pH 7.0 |
