6YAS

HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-06
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	47.649, 109.054, 128.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.159 *
Rwork	0.159
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yas
RMSD bond length	0.011
RMSD bond angle	2.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.120	2.200 *
Rmerge	0.050 *	0.132 *
Number of reflections	18312
<I/σ(I)>	11.7
Completeness [%]	85.1	88.3 *
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		0.1 M NATRIUM HEPES BUFFER PH=7.5 2 % PEG 400, 2.0 M AMMONIUM SULFATE, 20 DEGREES.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	2 (%)
2	1	reservoir	ammonium sulfate	2.0 (M)
3	1	reservoir	sodium HEPES	0.1 (M)