1MJT

CRYSTAL STRUCTURE OF SANOS, A BACTERIAL NITRIC OXIDE SYNTHASE OXYGENASE PROTEIN, IN COMPLEX WITH NAD+ AND SEITU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	65.780, 115.140, 126.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.400
R-factor	0.177
Rwork	0.182
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RESIDUE 122 ONWARDS OF PDB ENTRY 3NOS
RMSD bond length	0.007
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.126	0.439
Total number of observations	169640 *
Number of reflections	36617	3634 *
<I/σ(I)>	6.8	1.3
Completeness [%]	95.8	96.5
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	21 *	PEG6000, MPD, Tris, NAD+, SEITU, non-detergent sulphobetaine 195, gamma-butyrolactone, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	gamma butyrolactone	1-2 (%)
3	1	reservoir	Tris	100 (mM)	pH7.4
4	1	reservoir	PEG6000	3-9 (%)
5	1	reservoir	MPD	5 (%)