9B0C

Crystal structure of GenB2 in complex with gentamicin X2.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.976250
Spacegroup name	C 2 2 21
Unit cell lengths	75.407, 104.187, 104.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.640 - 1.660
R-factor	0.1667
Rwork	0.165
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.640	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.095	2.791
Rmeas	0.099	2.922
Rpim	0.027	0.853
Total number of observations		49002
Number of reflections	88843	4306
<I/σ(I)>	13.2	0.9
Completeness [%]	99.9
Redundancy	13.1	11.4
CC(1/2)	0.999	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M PIPES, pH 6.0, 1 M NaCl, 29% PEG 4000 and 30% 6-aminohexanoic acid