1TMO

TRIMETHYLAMINE N-OXIDE REDUCTASE FROM SHEWANELLA MASSILIA

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Collection date	1997-12
Spacegroup name	P 21 21 2
Unit cell lengths	123.320, 140.700, 59.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.182
Rwork	0.182
R-free	0.24700
RMSD bond length	0.009
RMSD bond angle	23.200 *
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *
High resolution limit [Å]	2.500 *	2.500 *
Rmerge	0.140 *	0.480 *
Number of reflections	37497 *	4403 *
Completeness [%]	92.0 *	81 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	20 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	cacodylate	100 (mM)
3	1	reservoir	sodium salt
4	1	reservoir	calcium acetate	200 (mM)
5	1	reservoir	PEG8000	18 (%(w/v))