7NY8

Affimer K69 - KRAS protein complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	39.008, 168.775, 39.653
Unit cell angles	90.00, 92.70, 90.00

Refinement procedure

Resolution	84.530 - 1.800
R-factor	0.1568
Rwork	0.154
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe 4n6t
RMSD bond length	0.005
RMSD bond angle	1.314
Data reduction software	DIALS (3.1.3)
Data scaling software	DIALS (3.1.3)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	168.770	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.072	0.734
Rmeas	0.078	0.794
Rpim	0.030	0.300
Number of reflections	47236	2336
<I/σ(I)>	19.3
Completeness [%]	100.0	100
Redundancy	6.9	6.9
CC(1/2)	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M imidazole, 0.1M MES monohydrate, 20% w/v PEG 500 MME, 10% w/v PEG 20000, 0.12M 1,6-hexanediol, 0.12M 1,2-propanediol, 0.12M 1,4-butanediol, 0.12M 1-butanol, 0.12M 2-propanol, 0.12M 1,3-propanediol