5VBZ

Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras M72C GppNHp

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	2015-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.840, 75.440, 93.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.601 - 2.200
R-factor	0.2125
Rwork	0.210
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k9l
RMSD bond length	0.004
RMSD bond angle	0.578
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.744	6.960	2.320
High resolution limit [Å]	2.200	4.920	2.200
Rmerge	0.150	0.069	0.654
Rmeas	0.178	0.081	0.777
Rpim	0.094	0.041	0.412
Number of reflections	22134		3169
<I/σ(I)>	5.8	8.8	1
Completeness [%]	97.0	99.7	97
Redundancy	3.3	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	32% PEG4000 .1 M Na Cacodylate (pH 6.6) .2 M CaCl2