5VBM

Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	32.600, 41.180, 111.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.550 - 1.490
R-factor	0.1735
Rwork	0.172
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyj
RMSD bond length	0.007
RMSD bond angle	1.105
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.8)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.550	1.510
High resolution limit [Å]	1.490	1.490
Rmerge	0.053	0.255
Rmeas	0.062	0.306
Rpim	0.032	0.166
Number of reflections	25082	1077
<I/σ(I)>	15.7
Completeness [%]	98.7	91.8
Redundancy	3.7	2.9
CC(1/2)	0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	33% PEG4000 .1 M Na Citrate (pH 4.6) .2 M Ammonium Acetate .22 M KCl (10% Additive of 2.2 M KCL)