8W7D

Crystal structure of EcPPAT-FR901483 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980000
Spacegroup name	P 21 21 2
Unit cell lengths	93.181, 114.743, 203.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.854 - 2.810
R-factor	0.2055
Rwork	0.203
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.854	2.910
High resolution limit [Å]	2.810	2.810
Number of reflections	53956	5329
<I/σ(I)>	10.81
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.994	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M potassium thiocyanate, 0.1 M Bis-Tris propane pH 8.5