6M9R

Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a bound N(delta)-hydroxy-N(omega)-methyl-L-arginine intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	57.950, 107.730, 150.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.080 - 1.690
R-factor	0.17121
Rwork	0.170
R-free	0.19076
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m9s
RMSD bond length	0.007
RMSD bond angle	1.172
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.090	1.790
High resolution limit [Å]	1.685	1.690
Rmerge	0.084	0.877
Rmeas	0.089	0.935
Number of reflections	107050
<I/σ(I)>	14.01	2.52
Completeness [%]	99.9	99.9
Redundancy	8.2	8.2
CC(1/2)	0.998	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris, pH 8.5, 0.1 M magnesium chloride, 14-20% w/v PEG4000