7XTF

Crystal Structure of PL-5 family polysaccharide lyase PanPL-Y226F mutant from Pandoraea apista in apo form at pH5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	37.073, 85.682, 91.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.840 - 1.730
R-factor	0.1818
Rwork	0.180
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wxj
RMSD bond length	0.009
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.783	1.755
High resolution limit [Å]	1.726	1.726
Rmerge	0.066	0.681
Rpim	0.036	0.352
Number of reflections	30829	1551
<I/σ(I)>	14	2.2
Completeness [%]	97.8	99.8
Redundancy	4.3	4.6
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295.15	0.1M Bis-Tris pH5.5, 25% w/v PEG 3350