6DAW

X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate

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	2014-12-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 62
Unit cell lengths	121.631, 121.631, 82.054
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.2048
Rwork	0.203
R-free	0.24780
RMSD bond length	0.005
RMSD bond angle	0.943
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.116	0.054	0.903
Rmeas	0.122	0.058	0.951
Rpim	0.038	0.019	0.298
Number of reflections	40215	2092	1986
<I/σ(I)>	7.2
Completeness [%]	99.6	100	99.7
Redundancy	10.2	9.9	10
CC(1/2)		0.998	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	potassium acetate, HEPES