6KFE

Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis (recombinant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	57.924, 57.924, 226.321
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.160 - 2.000
R-factor	0.1598
Rwork	0.157
R-free	0.20513
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kfa
RMSD bond length	0.010
RMSD bond angle	1.435
Data reduction software	XDS (0.48)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (11.2.08)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.160	2.110
High resolution limit [Å]	2.000	2.000
Rmerge		0.720
Rmeas		0.765
Rpim		0.192
Number of reflections	15329	2269
<I/σ(I)>	19.6	4.7
Completeness [%]	100.0	100
Redundancy	14.8	15.2
CC(1/2)		0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.2 M ammonium sulfate, 0.1 M sodium acetate (pH 5.0), 28-32% (w/v) PEG monomethyl ether 2000, 0.3 M NDSB-195