2FJE

adenosine-5-phosphosulfate reductase oxidized 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
Wavelength(s)	1.05
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	30.000 - 1.800
Rwork	0.166
R-free	0.19200
Structure solution method	FOURIER SYNTHESIS
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.820
High resolution limit [Å]	1.800	5.580	1.800
Rmerge	0.038	0.034	0.109
Number of reflections	138616
Completeness [%]	92.6	93.8	37.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	6 % PEG 4000, 0.1 M NaCl, 0.1 M NaAc pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K