8OT2

Structural and functional studies of geldanamycin amide synthase ShGdmF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	72.544, 96.390, 86.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.120 - 1.770
R-factor	0.1705
Rwork	0.170
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.125
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.120	1.833
High resolution limit [Å]	1.770	1.770
Rmerge	0.077	1.358
Number of reflections	29337	2867
<I/σ(I)>	21.26
Completeness [%]	97.9	96.86
Redundancy	13.1
CC(1/2)	0.999	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	100 mM HEPES, pH 7.5, 25 % PEG4000, 150 mM Sodium acetate, 200 mM lithium sulfate