8SWE
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11584 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 105.460, 117.130, 64.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.370 - 2.240 |
R-factor | 0.2124 |
Rwork | 0.211 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ri1 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.716 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.370 | 2.340 |
High resolution limit [Å] | 2.230 | 2.230 |
Number of reflections | 38979 | 7553 |
<I/σ(I)> | 5.3 | 1.25 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.7 | |
CC(1/2) | 0.995 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 27 % PEG 4000, 0.1 M Hepes pH7.5, 0.252 M Ammonium Sulfate, 0.05 M GSH GSSG |