7U99
EGFR kinase in complex with a macrocyclic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.532, 145.532, 145.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.910 - 2.500 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vhp |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 102.910 | 102.990 | 2.540 |
High resolution limit [Å] | 2.500 | 6.790 | 2.500 |
Rmeas | 0.112 | 0.058 | 1.164 |
Rpim | 0.048 | 0.025 | 0.497 |
Total number of observations | 90487 | 4502 | 4679 |
Number of reflections | 17751 | 916 | 900 |
<I/σ(I)> | 10.1 | 29.5 | 1 |
Completeness [%] | 99.1 | 95.1 | 99.6 |
Redundancy | 5.1 | 4.9 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 1.1 M Sodium Citrate |