8JGD

GDP-bound KRAS G12C in complex with YK-8S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-01
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	P 65 2 2
Unit cell lengths	82.284, 82.284, 97.479
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.142 - 1.600
R-factor	0.170771429201
Rwork	0.168
R-free	0.20147
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.213
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.142	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	26269	26269
<I/σ(I)>	40.4
Completeness [%]	100.0
Redundancy	28.6
CC(1/2)	0.968	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	200mM calcium acetate,100mM MES(PH 5.5-6.5),PEG 8000 16%-24%