1YAS

HYDROXYNITRILE LYASE COMPLEXED WITH HISTIDINE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1995-05-12
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	47.703, 109.010, 128.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.199
Rwork	0.199
R-free	0.24100
Structure solution method	MIR
RMSD bond length	0.018
RMSD bond angle	24.471 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.073	0.355
Total number of observations	137615 *
Number of reflections	24031
Completeness [%]	90.4	67.8
Redundancy	5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	293	used to seeding *

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	Na HEPES	0.1 (M)