5GTY
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 117.427, 71.796, 152.530 |
Unit cell angles | 90.00, 103.53, 90.00 |
Refinement procedure
Resolution | 49.810 - 3.140 |
R-factor | 0.2578 |
Rwork | 0.257 |
R-free | 0.27950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jit |
RMSD bond length | 0.010 |
RMSD bond angle | 1.342 |
Data reduction software | DENZO |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2400)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.260 |
High resolution limit [Å] | 3.150 | 3.150 |
Number of reflections | 42443 | |
<I/σ(I)> | 6.14 | |
Completeness [%] | 98.2 | |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP |