1HTJ

STRUCTURE OF THE RGS-LIKE DOMAIN FROM PDZ-RHOGEF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9717
Spacegroup name	P 61 2 2
Unit cell lengths	61.610, 61.610, 201.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.223 *
Rwork	0.223
R-free	0.25800
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	19.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.052	0.296
Total number of observations	57934 *
Number of reflections	12161
<I/σ(I)>	12.1	4.4
Completeness [%]	98.7	99 *
Redundancy	4.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5 *	20 *	Ammonium Sulfate, PEG 400, Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop	dithiothreitol	5 (mM)
4	1	reservoir	ammonium sulfate	40-42 (%sat)
5	1	reservoir	PEG400	2 (%)
6	1	reservoir	Tris-HCl	100 (mM)