36JM

Tri-complex of Compound 1, KRas Q61H, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	47.884, 101.818, 66.353
Unit cell angles	90.00, 90.76, 90.00

Refinement procedure

Resolution	38.580 - 1.400
R-factor	0.1763
Rwork	0.175
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.115
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.580	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.054	0.269
Rpim	0.050	0.231
Number of reflections	117679	4561
<I/σ(I)>	9.8	1.8
Completeness [%]	94.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl