1EP2

CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1997-01-31
Detector	RIGAKU RAXIS II
Spacegroup name	H 3 2
Unit cell lengths	202.420, 202.420, 80.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.500 - 2.400
R-factor	0.19 *
Rwork	0.190
R-free	0.24100
RMSD bond length	0.009
RMSD bond angle	1.639
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.099	0.497
Total number of observations	89776 *
Number of reflections	21335
<I/σ(I)>	12.4
Completeness [%]	86.0	90.1
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	298	Rowland, P., (1997) Acta Crystallogr., Sect.D, 53, 802. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)
3	1	drop	glycerol	10 (%)
4	1	reservoir	ammonium sulfate	2.4 (M)
5	1	reservoir	sodium acetate	0.1 (M)