4DL9

Crystal structure of S-nitrosoglutathione reductase from tomato (Solanum lycopersicum) in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98011
Spacegroup name	P 21 21 2
Unit cell lengths	82.114, 125.076, 76.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 1.850
R-factor	0.1825
Rwork	0.180
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1teh
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.960
High resolution limit [Å]	1.850	5.500	1.850
Rmerge	0.068	0.026	0.567
Number of reflections	68193
<I/σ(I)>	12.05	33.97	2.21
Completeness [%]	99.4	97.8	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5, 14% PEG 20000, 4% glycerol (plus 2.5 mM NAD+ in the drop), VAPOR DIFFUSION, HANGING DROP, temperature 293K