6S9C
EGFR-KINASE IN COMPLEX WITH COMPOUND 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999999701977 |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.447, 145.447, 145.447 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.850 - 2.730 |
R-factor | 0.2015 |
Rwork | 0.200 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.009 |
RMSD bond angle | 1.262 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 102.850 | 102.850 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.059 | 0.420 |
Rmeas | 0.067 | 0.022 |
Total number of observations | 57792 | |
Number of reflections | 13483 | 54 |
<I/σ(I)> | 18.57 | 53.63 |
Completeness [%] | 95.9 | 87.3 |
Redundancy | 4.3 | 4.3 |
CC(1/2) | 0.998 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10 % PEG 10000 8 % ethylene glycol 0.1 M HEPES |