1IY8

Crystal Structure of Levodione Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-01-24
Detector	RIGAKU RAXIS V
Wavelength(s)	0.836
Spacegroup name	P 1
Unit cell lengths	66.672, 79.184, 112.670
Unit cell angles	103.87, 91.40, 105.48

Refinement procedure

Resolution	40.000 - 1.600
Rwork	0.199
R-free	0.21800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hsd
RMSD bond length	0.006
RMSD bond angle	1.534 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.081 *	0.263 *
Total number of observations	1031771 *
Number of reflections	261092
Completeness [%]	92.1 *	82.7 *
Redundancy	4.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	15 *	PEG MME 2000, magnesium chloride, MPD, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K
1	VAPOR DIFFUSION, HANGING DROP	6	15 *	PEG MME 2000, magnesium chloride, MPD, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG2000 MME	18-20 (%(w/v))
3	1	reservoir		0.2 (M)
4	1	reservoir	MPD	5 (%(v/v))
5	1	reservoir	glycerol	5 (%(v/v))
6	1	reservoir	MES	0.1 (M)	pH6.0