8OOM

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	72.874, 96.184, 86.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.270 - 1.820
R-factor	0.1716
Rwork	0.170
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.323
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]	48.270	1.885
High resolution limit [Å]	1.820	1.820
Rmerge	0.086	0.765
Number of reflections	27488	2723
<I/σ(I)>	13.04	2.11
Completeness [%]	99.3
Redundancy	13.04
CC(1/2)	0.998	0.720

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 acide, 200 mM lithium sulfate