2AN2

P332G, A333S Double mutant of the Bacillus subtilis Nitric Oxide Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	193
Detector technology	CCD
Collection date	2004-11-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96
Spacegroup name	P 21 21 2
Unit cell lengths	80.603, 93.515, 63.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.21712
Rwork	0.216
R-free	0.23736
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.623
Phasing software	AMoRE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	45160
<I/σ(I)>	12.56
Completeness [%]	98.7	69.1
Redundancy	3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG4000, Na Cacodylate, K Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K