6YN9
MALT1(329-728) in complex with a sulfonamide containing compound
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 | 2014-07-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.999870 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.391, 70.116, 56.736 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 56.060 - 2.558 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.25120 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3v55 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4 (13-Dec-2018)) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.064 | 56.064 | 2.567 |
| High resolution limit [Å] | 2.558 | 11.837 | 2.558 |
| Rmerge | 0.107 | 0.040 | 0.607 |
| Rmeas | 0.128 | 0.048 | 0.722 |
| Rpim | 0.069 | 0.027 | 0.388 |
| Total number of observations | 38992 | 373 | 389 |
| Number of reflections | 11838 | 125 | 116 |
| <I/σ(I)> | 7.1 | 15.2 | 2.1 |
| Completeness [%] | 99.2 | 97.7 | 100 |
| Redundancy | 3.3 | 3 | 3.4 |
| CC(1/2) | 0.993 | 0.997 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG MME 2000, 0.1M MES pH6.5 Protein at 12 mg/ml in 25mM HEPES pH 7.5, 50mM NaCl, 1mM TCEP, 100 mM Mg formate added prior to crystallization |
