1K03

Crystal Structure of Old Yellow Enzyme Mutant Gln114Asn Complexed with Para-hydroxy Benzaldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2000-11-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	143.000, 143.000, 43.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 2.700
R-factor	0.132 *
Rwork	0.130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.135 *	0.563 *
Total number of observations	53389 *
Number of reflections	10862
Completeness [%]	99.4 *	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	4 *	Fox, K.M., (1993) J. Mol. Biol., 234, 502. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		10 (mM)
4	1	drop	phrnylmethylsulfonyl fluoride	0.01 (M)
5	1	reservoir	HEPES	0.1 (M)
6	1	reservoir	PEG400	35 (%(w/v))
7	1	reservoir		0.2 (M)