8JWO

Crystal structure of AKRtyl-tylosin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43
Unit cell lengths	111.021, 111.021, 560.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.250
R-factor	0.1828
Rwork	0.181
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.582
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHENIX (1.17.1-3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.130	0.816
Number of reflections	317806	15864
<I/σ(I)>	11.3	2.5
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.991	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	22% PEG 400, 0.1M MES