6C0G

Lysinoalanine synthase, DurN, from duramycin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	57.613, 57.613, 146.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.635 - 2.145
R-factor	0.2193
Rwork	0.217
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.890	2.182
High resolution limit [Å]	2.145	2.145
Rmerge	0.101	1.736
Rmeas	0.103	1.773
Rpim	0.022	0.359
Number of reflections	329517	16295
<I/σ(I)>	21.9
Completeness [%]	100.0	99.9
Redundancy	23	24.2
CC(1/2)	0.998	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	25% PEG 3350, 0.2 M magnesium chloride, 0.1 M bis-tris pH 6.5