7N4Z

Complex structure of NOS4 with noscapine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	41.626, 54.859, 92.640
Unit cell angles	74.14, 81.82, 89.96

Refinement procedure

Resolution	44.070 - 2.210
R-factor	0.2443
Rwork	0.242
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vw0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.250
High resolution limit [Å]	2.210	6.000	2.210
Rmerge	0.072	0.051	0.354
Rmeas	0.100	0.071	0.492
Rpim	0.068	0.049	0.341
Total number of observations	66376
Number of reflections	36886	1836	1816
<I/σ(I)>	6.2
Completeness [%]	95.0	94.6	96.2
Redundancy	1.8	1.8	1.8
CC(1/2)		0.989	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350, 0.2 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M MES