7YAS

HYDROXYNITRILE LYASE, LOW TEMPERATURE NATIVE STRUCTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	47.529, 106.434, 128.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.750
R-factor	0.191 *
Rwork	0.191
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yas
RMSD bond length	0.011
RMSD bond angle	24.000 *
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]	28.000
High resolution limit [Å]	1.750	1.750 *
Rmerge	0.037 *	0.113 *
Number of reflections	30389
<I/σ(I)>	16
Completeness [%]	91.6	97.8 *
Redundancy	5.2

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)