8SNI

Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	76.527, 81.884, 90.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.850 - 1.990
R-factor	0.2002
Rwork	0.199
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.850	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.066	0.967
Rmeas	0.086	1.244
Rpim	0.054	0.774
Number of reflections	39196	2786
<I/σ(I)>	10.5	1.3
Completeness [%]	98.7	99.5
Redundancy	3.7	3.8
CC(1/2)	0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES, pH 7.5, 0.2 M L-Proline, 10 % w/v Polyethylene glycol 3,350