3RS3

H-Ras soaked in neat hexane: 1 of 10 in MSCS set

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-17
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	88.328, 88.328, 135.128
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.827 - 1.520
R-factor	0.1894
Rwork	0.188
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.178
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.078	0.055	0.590
Number of reflections	31339
<I/σ(I)>	12.9
Completeness [%]	99.7	99.5	97.7
Redundancy	8.3	8.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	298	20 % PEG 3350, 200mM Calcium Chloride, pH 7.5, hanging drop, temperature 298K