5HG5
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 98 |
Detector technology | PIXEL |
Collection date | 2012-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.321, 70.002, 111.114 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.230 - 1.520 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.22400 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.800 |
Data scaling software | SCALA |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.230 | 1.610 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.502 | |
Number of reflections | 49014 | |
<I/σ(I)> | 17.9 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 286 | 0.1 M (5.0 uL of stock 1.0 M) Sodium acetate trihydrate (pH 7.50), 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol, 0.2 M (2.8571428571 uL of stock 3.5 M) Ammonium sulfate |