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 |