8JWM

Crystal structure of AKRtyl-NADP-tylosin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 2 21 21
Unit cell lengths	83.007, 198.310, 199.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.150 - 1.930
R-factor	0.1659
Rwork	0.164
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.111
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.133	0.766
Number of reflections	245855	12190
<I/σ(I)>	15.6	2.33
Completeness [%]	99.9
Redundancy	6.2
CC(1/2)	0.957	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	18% PEG 3350, 0.1 M Sodium citrate