7E7H

Crystal Structure of a pseudooxynicotine amine oxidase Pnao from Pseudomonas putida S16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	69.657, 89.709, 157.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.830 - 2.200
R-factor	0.1676
Rwork	0.165
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c71
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.187	0.643
Rpim	0.065	0.223
Number of reflections	51082	2538
<I/σ(I)>	18.5	4.5
Completeness [%]	100.0
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Lithium sulfate, 25 % PEG 3350, BIS-TRIS ph 6.5