6C9U

Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab)

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	2015-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	115.768, 139.684, 102.580
Unit cell angles	90.00, 97.05, 90.00

Refinement procedure

Resolution	46.080 - 2.090
R-factor	0.167
Rwork	0.166
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qo3 1sbs
RMSD bond length	0.012
RMSD bond angle	1.094
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	2.170
High resolution limit [Å]	2.092	2.090
Number of reflections	93106
<I/σ(I)>	2.44
Completeness [%]	93.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	200 mM potassium citrate, 20%(w/v) PEG 3,350 and 12% ethylene glycol)