7O74

Structure of cyanase from Pseudomonas lactis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	130.146, 117.592, 106.991
Unit cell angles	90.00, 94.26, 90.00

Refinement procedure

Resolution	43.570 - 1.610
R-factor	0.1641
Rwork	0.164
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y42
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XSCALE (Feb 5, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.570	43.570	1.650
High resolution limit [Å]	1.610	7.190	1.610
Rmerge	0.169	0.055	2.706
Rmeas	0.183	0.060	2.931
Total number of observations	1407503
Number of reflections	202687	2383	14459
<I/σ(I)>	8.28	26.1	1.04
Completeness [%]	97.4	99	94.2
Redundancy	6.944	6.653	6.707
CC(1/2)	0.997	0.997	0.241

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292.15	MemGold B9 0.1M Potassium chloride 0.02M Tris7.0 20% w/v PEG 4000