7CGS

Crystal endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L343F from Prunus communis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	49.688, 91.223, 131.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.520 - 1.600
R-factor	0.149
Rwork	0.148
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6J8K
RMSD bond length	0.014
RMSD bond angle	1.917
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	77470	3723
<I/σ(I)>	24
Completeness [%]	95.6
Redundancy	12
CC(1/2)	0.894	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.25	291	100mM tris-bicine pH 8.5, 60mM CaCl2, 60mM MgCl2, 18% v/v PEG 500MME, 9% w/v PEG 20000