8BTM

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	2019-09-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	73.250, 95.859, 86.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.280 - 1.400
R-factor	0.1732
Rwork	0.173
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.280	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.055	1.139
Number of reflections	60070	5911
<I/σ(I)>	25.56	2
Completeness [%]	99.9	99.88
Redundancy	13.3
CC(1/2)	1.000	0.825

Crystallization Conditions

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