6KD0

Crystal Structure of Vibralactone Cyclase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.988
Spacegroup name	P 1 21 1
Unit cell lengths	47.324, 80.234, 59.184
Unit cell angles	90.00, 102.36, 90.00

Refinement procedure

Resolution	50.000 - 1.800
Rwork	0.180
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lk6
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.099	0.631
Rpim	0.064	0.423
Number of reflections	39851	1915
<I/σ(I)>	13.1	1.3
Completeness [%]	100.0	100
Redundancy	3.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350