1E18

TUNGSTEN-SUSBSTITUTED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	293
Collection date	1998-07-15
Spacegroup name	P 41 21 2
Unit cell lengths	80.920, 80.920, 229.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.142
R-free	0.19200
Structure solution method	OTHER
RMSD bond length	0.011
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.030
High resolution limit [Å]	2.000	1.900
Rmerge	0.066 *	0.157 *
Total number of observations	233511 *
Number of reflections	51645
<I/σ(I)>	9	4.2
Completeness [%]	98.0	92.3
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.9	22 *	0.1M CITRATE BUFFER, PH 4.8 -5.2, 20 - 23% PEG 4000, 20% ETHANOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	8 (mg/ml)
2	1	drop	sodium citrate	0.1 (M)
3	1	drop	ethanol	20 (%)
4	1	drop	PEG4000	10 (%)
5	1	reservoir	PEG4000	25 (%)