5YLT
Crystal structure of SET7/9 in complex with a cyproheptadine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 110.176, 34.963, 67.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.772 - 1.690 |
R-factor | 0.1697 |
Rwork | 0.168 |
R-free | 0.19980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ayf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.885 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmeas | 0.117 | 1.425 |
Rpim | 0.046 | 0.604 |
Number of reflections | 30706 | 1473 |
<I/σ(I)> | 22.6 | 1.9 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 6.3 | 5.4 |
CC(1/2) | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M TRIS-HCL PH 8.5, 34% PEG 6000 |