6JBY

Crystal structure of endo-deglycosylated hydroxynitrile lyase isozyme 5 of 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	2018-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	49.525, 91.307, 132.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 1.600
R-factor	0.1593
Rwork	0.158
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eb4
RMSD bond length	0.006
RMSD bond angle	0.908
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.12-2829-000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.109	0.309
Rmeas	0.114	0.321
Rpim	0.031	0.087
Number of reflections	79762	3877
<I/σ(I)>	20.74	8.86
Completeness [%]	100.0	100
Redundancy	13.3	13.6
CC(1/2)	0.996	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Tris-bicine, calcium chloride, magnesium chloride, PEG 550MME, PEG 20000