8JOS

Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type B crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	53.911, 71.911, 128.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 1.590
R-factor	0.1889
Rwork	0.188
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.969
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.960	47.940	1.680
High resolution limit [Å]	1.590	4.740	1.590
Rmerge	0.050	0.023	1.334
Rmeas	0.054	0.025	1.431
Rpim	0.020
Number of reflections	68145	2777	10795
<I/σ(I)>	18.75
Completeness [%]	99.8	99.6
Redundancy	7.4	5.9
CC(1/2)	1.000	1.000	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	21% PEG 3350, 300mM lithium chloride