1C0L

D-AMINO ACID OXIDASE: STRUCTURE OF SUBSTRATE COMPLEXES AT VERY HIGH RESOLUTION REVEAL THE CHEMICAL REACTTION MECHANISM OF FLAVIN DEHYDROGENATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Detector technology	IMAGE PLATE
Collection date	1999-05-10
Detector	MARRESEARCH
Spacegroup name	I 4 2 2
Unit cell lengths	120.355, 120.355, 136.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.730
R-factor	0.162
R-free	0.20400
RMSD bond length	0.011
RMSD bond angle	2.480
Data scaling software	XDS
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.790
High resolution limit [Å]	1.700	1.730
Rmerge	0.110 *	0.372 *
Total number of observations	230642 *
Number of reflections	52652
<I/σ(I)>	6.4
Completeness [%]	99.2	96.7 *
Redundancy	4.4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	100MM HEPES 16% POLYETHYLENE GLYCOL PEG 200MM AMMONIUM SULFATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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)