6BPI
Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-08 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.731, 63.756, 69.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.010 - 1.640 |
R-factor | 0.18822 |
Rwork | 0.188 |
R-free | 0.19939 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.355 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.670 |
High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
Rmerge | 0.034 | 0.020 | 0.645 |
Rmeas | 0.036 | 0.022 | 0.717 |
Rpim | 0.013 | 0.008 | 0.305 |
Total number of observations | 227487 | ||
Number of reflections | 30573 | 1668 | 1486 |
<I/σ(I)> | 15.9 | ||
Completeness [%] | 99.9 | 98.7 | 99.1 |
Redundancy | 7.4 | 7 | 5 |
CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25% PEG 3350, 0.2M LiSO4, 0.1M Bis-Tris pH 6.5 |