9KVN

Structure of UKD domain in the bifunctional enzyme CelAly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-19
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	F 4 3 2
Unit cell lengths	142.858, 142.858, 142.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.940 - 2.702
Rwork	0.218
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX ((1.20.1_4487))
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.480	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.078	0.828
Number of reflections	3721	362
<I/σ(I)>	49.3
Completeness [%]	97.9
Redundancy	69.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	3.25 M sodium formate (pH 6.8)