4D1O

Structure of human endothelial nitric oxide synthase heme domain with L-Arg bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-15
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	62.395, 110.091, 153.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.392 - 1.819
R-factor	0.1566
Rwork	0.155
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nse
RMSD bond length	0.007
RMSD bond angle	1.183
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.100	1.000
Number of reflections	95342
<I/σ(I)>	19.9	1
Completeness [%]	99.8	98.2
Redundancy	4.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		10-12% PEG3350, 0.1M BIS TRIS, PH7.5, 0.3M MG ACETATE, 0.1M GDCL3, 5 MM TCEP