7AK1
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 | 2013-08-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.320, 56.330, 79.783 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 42.550 - 2.507 |
| R-factor | 0.1993 |
| Rwork | 0.196 |
| R-free | 0.26510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ak0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.547 | 42.547 | 2.515 |
| High resolution limit [Å] | 2.507 | 11.558 | 2.507 |
| Rmerge | 0.089 | 0.027 | 0.611 |
| Rmeas | 0.106 | 0.032 | 0.725 |
| Rpim | 0.057 | 0.018 | 0.386 |
| Total number of observations | 43440 | 478 | 447 |
| Number of reflections | 13066 | 151 | 132 |
| <I/σ(I)> | 7.7 | 17.4 | 2.4 |
| Completeness [%] | 94.0 | 97.4 | 100 |
| Redundancy | 3.3 | 3.2 | 3.4 |
| CC(1/2) | 0.997 | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 12.2 mg/ml, 25mM HEPES pH7.5, 50mM NaCL, 1mM TCEP |
