6NJS
Stat3 Core in complex with compound SD36
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.07812 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.000, 84.000, 206.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.370 - 2.700 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cwg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.058 | 0.022 | 0.484 |
Rmeas | 0.060 | 0.023 | 0.516 |
Rpim | 0.017 | 0.006 | 0.175 |
Number of reflections | 21068 | 1208 | 1010 |
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 12.1 | 12.1 | 8.3 |
CC(1/2) | 0.999 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 10% peg 3350, 100-150 mM ammonium nitrate |