4UQR

Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-omega-Nitro-L-Arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-03
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	80.606, 94.820, 62.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.720
R-factor	0.16959
Rwork	0.168
R-free	0.19912
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lwa
RMSD bond length	0.012
RMSD bond angle	1.765
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.410	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.060	0.560
Number of reflections	50723
<I/σ(I)>	12.5	1.9
Completeness [%]	97.9	94.2
Redundancy	4.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6		60 MM BIS-TRIS METHANE/40 MM CITRIC ACID PH 7.6, 15% (VOL/VOL) PEG 3350, 1.9% (VOL/VOL) 1-PROPANOL