9UUV

beta barrel protein-LucK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	46.399, 83.073, 88.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.940 - 1.870
R-factor	0.1949
Rwork	0.193
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.430	1.970
High resolution limit [Å]	1.870	1.870
Rmerge	0.044	0.450
Number of reflections	28635	3984
<I/σ(I)>	22.7
Completeness [%]	99.6
Redundancy	7.3
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Lithium sulfate, 0.1 M Tris 8.5, 30 % w/v PEG 4000