3RSO

H-Ras soaked in 20% S,R,S-bisfuranol: 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	88.496, 88.496, 134.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.269 - 1.600
R-factor	0.1794
Rwork	0.177
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.078
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]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.042	0.031	0.238
Number of reflections	26262
<I/σ(I)>	12.5
Completeness [%]	99.5	95.5	100
Redundancy	3.8	3.8	3.6

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