1UCR

Three-dimensional crystal structure of dissimilatory sulfite reductase D (DsrD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-02
Detector	MARRESEARCH
Wavelength(s)	0.708
Spacegroup name	P 21 21 21
Unit cell lengths	60.025, 64.559, 45.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.200
R-factor	0.1381
Rwork	0.136
R-free	0.18030
Structure solution method	SIRAS
RMSD bond length	0.015
RMSD bond angle	0.035
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.200	1.200 *
Rmerge	0.060 *	0.185 *
Total number of observations	565339 *
Number of reflections	55639	8364 *
Completeness [%]	99.8 *	99.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3	293	Mizuno, N., (2000) Acta Crystallogr., D56, 754. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40-60 (mg/ml)
2	1	drop	ammonium sulfate	100 (%sat)
3	1	reservoir	ammonium sulfate	73-75 (%sat)