8OSZ

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	74.328, 95.374, 86.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.240 - 1.260
R-factor	0.1706
Rwork	0.170
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.509
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]	43.240	1.305
High resolution limit [Å]	1.260	1.260
Rmerge	0.046	0.990
Rmeas		2.080
Number of reflections	82845	8191
<I/σ(I)>	24.42
Completeness [%]	99.9	99.83
Redundancy	13.3
CC(1/2)	1.000	0.878

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