8PJI
MLLT1 in complex with compound 10a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2018-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.532, 49.532, 132.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.660 - 1.700 |
R-factor | 0.24453 |
Rwork | 0.243 |
R-free | 0.27665 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.575 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.660 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.064 | |
Rmeas | 0.090 | |
Number of reflections | 18898 | 1838 |
<I/σ(I)> | 6.37 | |
Completeness [%] | 99.9 | 99.29 |
Redundancy | 2 | |
CC(1/2) | 0.983 | 0.392 |
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 |