7LLD

Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	291
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	71.455, 75.036, 186.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 1.400
R-factor	0.1465
Rwork	0.144
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	several
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.510	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	195485	19105
<I/σ(I)>	12.85
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.990	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.15 M DL-malic acid and 20% PEG 3350