8OSV

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	74.304, 95.288, 86.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 1.280
R-factor	0.1661
Rwork	0.165
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.424
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]	43.300	1.326
High resolution limit [Å]	1.280	1.280
Rmerge	0.060
Number of reflections	79149	7826
<I/σ(I)>	19.7	1.89
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.825

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