8PJ7
MLLT3 in complex with compound PFI-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-09-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.632, 49.632, 122.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 1.260 |
R-factor | 0.19876 |
Rwork | 0.198 |
R-free | 0.22171 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.865 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 1.305 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.074 | 1.597 |
Rmeas | 0.076 | |
Rpim | 0.014 | 0.482 |
Number of reflections | 42219 | 4068 |
<I/σ(I)> | 20.71 | 1.27 |
Completeness [%] | 99.8 | |
Redundancy | 27.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Bis-Tris pH=7.0 150 mM AmSO4 Gradient 20-30% PEG3350 |