8EE0

KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	91.850, 91.850, 393.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.660 - 2.650
R-factor	0.2129
Rwork	0.211
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c9u
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.660	39.660	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.267	0.043	2.511
Rmeas	0.272	0.044	2.558
Total number of observations	1321851
Number of reflections	50353	686	3642
<I/σ(I)>	14.31	56.7	1.66
Completeness [%]	99.9	95.3	100
Redundancy	26.252	20.853	27.49
CC(1/2)	0.998	0.999	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.2 M lithium chloride, 0.1 M Tris, pH 7, 22.5% PEG8000