1C0I

CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-10
Detector	MARRESEARCH
Spacegroup name	I 4 2 2
Unit cell lengths	120.830, 120.830, 136.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.205 *
Rwork	0.199
R-free	0.24800 *
RMSD bond length	0.018 *
RMSD bond angle	3.210 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.138	0.287
Total number of observations	193503 *
Number of reflections	75551 *
<I/σ(I)>	5.3
Completeness [%]	99.0	99.8
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	Umhau, S., (2000) Proc.Natl.Acad.Sci.U.S.J., 97, 12463. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	20 (mM)
2	1	reservoir	HEPES	100 (mM)
3	1	reservoir	PEG10000	15 (%)
4	1	reservoir	ammonium sulfate	200 (mM)
5	1	reservoir	L-lactate	1 (mM)