6L6J

Structure of 6-hydroxypseudooxynicotine (6-HPON) amine oxidase (HisD) from Pseudomonas geniculata N1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	C 2 2 2
Unit cell lengths	115.110, 212.902, 79.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.970 - 2.600
R-factor	0.172
Rwork	0.170
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k30
RMSD bond length	0.008
RMSD bond angle	1.501
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.164	0.070	0.601
Rmeas	0.174	0.074	0.638
Rpim	0.055	0.024	0.208
Total number of observations	276129
Number of reflections	29678	3171	2748
<I/σ(I)>	4.8
Completeness [%]	98.8	99.8	92.7
Redundancy	9.3	9.5	8.2
CC(1/2)		0.997	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.5 M Ammonium sulfate 0.1 M Sodium citrate dihydrate pH 5.6 1.0 M Lithium sulfate monohydrate