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 |