4NK9
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-24 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 210.340, 55.970, 65.720 |
Unit cell angles | 90.00, 107.43, 90.00 |
Refinement procedure
Resolution | 42.610 - 2.570 |
R-factor | 0.2092 |
Rwork | 0.206 |
R-free | 0.26160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.610 | 2.640 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.050 | |
Number of reflections | 23276 | |
<I/σ(I)> | 16.9 | 2.2 |
Completeness [%] | 98.8 | 98.5 |
Redundancy | 3.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 277.15 | 18-20% PEG 8000, 100mM PCTP, 200mM ammonium sulfate, 25% ethylene glycol, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |