7RU7

Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis

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	2018-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976260
Spacegroup name	P 21 21 2
Unit cell lengths	71.912, 129.544, 45.721
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.720 - 1.400
R-factor	0.178
Rwork	0.177
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j66
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.18.1-3865)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.130	48.130	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.057	0.026	2.554
Rmeas	0.059	0.027	2.660
Rpim	0.016	0.008	0.733
Total number of observations	1104496	7010	52384
Number of reflections	84831	612	4097
<I/σ(I)>	19.1	78.6	1
Completeness [%]	99.9	99.6	98.8
Redundancy	13	11.5	12.8
CC(1/2)	1.000	0.999	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	14% PEG400, 100 mM MES, 200 mM magnesium chloride