6NOR

Crystal structure of GenD2 from gentamicin A biosynthesis in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.976260
Spacegroup name	P 31 2 1
Unit cell lengths	123.997, 123.997, 272.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.955 - 2.402
R-factor	0.176
Rwork	0.175
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	MrBUMP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.960	49.960	2.440
High resolution limit [Å]	2.400	13.150	2.400
Rmerge	0.179	0.078	1.050
Rmeas	0.187	0.082	1.100
Rpim	0.052	0.026	0.324
Total number of observations	1215767
Number of reflections	95469	678	4665
<I/σ(I)>	13.5
Completeness [%]	100.0	98	99.7
Redundancy	12.7	9.5	11.4
CC(1/2)	0.997	0.997	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	292	0.1 M sodium acetate, 4.6 M sodium formate