7AK0
Human MALT1(329-729) in complex with a chromane urea containing 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 | 2012-10-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.250, 104.824, 73.284 |
| Unit cell angles | 90.00, 111.14, 90.00 |
Refinement procedure
| Resolution | 68.350 - 2.316 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v55 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.354 | 68.354 | 2.324 |
| High resolution limit [Å] | 2.316 | 10.737 | 2.316 |
| Rmerge | 0.062 | 0.021 | 0.514 |
| Rmeas | 0.074 | 0.025 | 0.601 |
| Rpim | 0.039 | 0.013 | 0.309 |
| Total number of observations | 122789 | 1384 | 1591 |
| Number of reflections | 35677 | 398 | 427 |
| <I/σ(I)> | 7.1 | 15.9 | 2.1 |
| Completeness [%] | 93.3 | 98 | 98.2 |
| Redundancy | 3.4 | 3.5 | 3.7 |
| CC(1/2) | 0.998 | 0.999 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Bis-Tris pH 5.5, 0.3 M Magnesium Formate |
