1WQ2

Neutron Crystal Structure Of Dissimilatory Sulfite Reductase D (DsrD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2003-05-05
Wavelength(s)	2.88
Spacegroup name	P 21 21 21
Unit cell lengths	60.500, 65.100, 46.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.234
Rwork	0.229
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ucr
RMSD bond length	0.006
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.143	0.395
Number of reflections	7001
<I/σ(I)>		2.3
Completeness [%]	92.5	82.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	293	deuterated ammoniu sulfate, deuterated Tris-HCl, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K