7AV7

Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9137
Spacegroup name	P 21 21 21
Unit cell lengths	78.386, 143.294, 206.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.528 - 2.900
R-factor	0.1837
Rwork	0.180
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aau
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.623	48.623	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge	0.118	0.055	0.536
Rmeas	0.160	0.074	0.693
Rpim	0.081	0.041	0.360
Number of reflections	195324	1836	7444
<I/σ(I)>	8.1	2	2.1
Completeness [%]	99.7	99.3	99
Redundancy	3.7	3.7	3.5
CC(1/2)	0.986		0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	12% w/v PEG 8K, 0.1 M Tris-HCl, 0.1 M MgCl2