6JRJ

The structure of co-crystals of 8r-B-EGFR T790M/C797S complex

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	2018-07-08
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97930
Spacegroup name	I 2 3
Unit cell lengths	148.072, 148.072, 148.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.018 - 2.943
R-factor	0.2073
Rwork	0.203
R-free	0.24650
RMSD bond length	0.010
RMSD bond angle	1.297
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.180
High resolution limit [Å]	2.940	2.950
Number of reflections	11601
<I/σ(I)>	21.2
Completeness [%]	100.0
Redundancy	38.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M HEPES pH 8.5, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)