1FX2

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-12-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.600, 60.070, 78.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.460
R-factor	0.178
Rwork	0.178
R-free	0.20500
RMSD bond length	0.031
RMSD bond angle	2.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.480
High resolution limit [Å]	1.460	1.440
Rmerge	0.082	0.283
Total number of observations	498167 *
Number of reflections	40911
<I/σ(I)>	24.7
Completeness [%]	98.7	98.9
Redundancy	3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	291	20 mM Tris/HCl, 1.8-1.9 M ammonium sulfate, pH 6.5, 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	25 (%(w/v))
4	1	reservoir		0.2 (M)