8KAA

Crystal Structure of ChaU a ester cyclase from Streptomyces chartreusis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-07-10
Detector	RDI CMOS_8M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	63.316, 133.972, 30.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.490 - 1.240
R-factor	0.1664
Rwork	0.165
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gey
RMSD bond length	0.008
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.990	1.300
High resolution limit [Å]	1.240	1.240
Number of reflections	62605	5327
<I/σ(I)>	20.4
Completeness [%]	82.9
Redundancy	5.9
CC(1/2)	0.997	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1% w/v Polyethylene glycol monomethyl ether 2,000, 100 mM HEPES; pH 7.0, 1 M di-Sodium succinate; pH 7.0