7PAV
MALT1 in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.512, 75.103, 107.521 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 53.620 - 2.199 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uoa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | autoPROC (1.1.7) |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.600 | 2.310 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.039 | 0.380 |
| Number of reflections | 29525 | 1477 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 69.4 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.990 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 3350, sodium formate, Tris |
