2NGR

TRANSITION STATE COMPLEX FOR GTP HYDROLYSIS BY CDC42: COMPARISONS OF THE HIGH RESOLUTION STRUCTURES FOR CDC42 BOUND TO THE ACTIVE AND CATALYTICALLY COMPROMISED FORMS OF THE CDC42-GAP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	120
Detector technology	CCD
Collection date	1998-03-01
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	52.820, 67.690, 131.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.900
R-factor	0.253
Rwork	0.253
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1grn
RMSD bond length	0.006
RMSD bond angle	23.010 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.098 *
Total number of observations	394559 *
Number of reflections	40680 *
<I/σ(I)>	13.4	3.5
Completeness [%]	99.4	99.6
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	15-20 (%(w/v))
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir		0.10 (mM)
4	1	reservoir		10-30 (mM)