5VBE

Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras 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	2014-08-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	92.648, 92.648, 120.532
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.324 - 1.570
R-factor	0.1782
Rwork	0.177
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyj
RMSD bond length	0.019
RMSD bond angle	1.097
Data scaling software	HKL-2000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.260	1.600
High resolution limit [Å]	1.570	3.380	1.570
Rmerge	0.074	0.034	0.837
Number of reflections	27936
<I/σ(I)>	7.7
Completeness [%]	99.8	100	97.3
Redundancy	10.9	10.8	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	293	22% PEG8000 .1M Tris HCl (pH 7.7) .1 M CaCl2