1FX4

STRUCTURE ANALYSIS OF ADENYLATE CYCLASES FROM TRYPANOSOMA BRUCEI IN THEIR MONOMERIC STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-12-01
Detector	MARRESEARCH
Spacegroup name	I 41
Unit cell lengths	90.000, 90.000, 66.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.670 - 1.900
R-factor	0.202
Rwork	0.202
R-free	0.23200
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.095 *	0.194 *
Total number of observations	136749 *
Number of reflections	21016
<I/σ(I)>	21.1
Completeness [%]	99.5 *	99.7 *
Redundancy	6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	291	20 mM Tris/HCl, 25 % PEG 4000, 0.2 M MgCl2, pH 7.0, VAPOR DIFFUSION, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	5 (mM)
3	1	reservoir	PEG4000	35 (%(w/v))
4	1	reservoir		0.2 (M)