1JNR

Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	70
Detector technology	CCD
Collection date	1999-06-30
Detector	MARRESEARCH
Wavelength(s)	1.07, 1.005, 1.009, 1.733, 1.740
Spacegroup name	P 21 21 21
Unit cell lengths	72.600, 113.500, 193.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.590 - 1.600
R-factor	0.176 *
Rwork	0.180
R-free	0.19800 *
Structure solution method	MAD/MIR
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.063 *
Number of reflections	196086
Completeness [%]	92.6	80.5
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	PEG 4000, sodium acetate, sodium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	PEG 4000, sodium acetate, sodium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	4-6 (%)
2	1	reservoir		0.1 (M)	pH4.8
3	1	reservoir		0.2 (M)