7WXP

Crystal Structure of PL-5 family polysaccharide lyase PanPL-H172A mutant from Pandoraea apista in ManA bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-12-24
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	46.650, 53.012, 121.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.710 - 2.200
R-factor	0.1718
Rwork	0.170
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wxj
RMSD bond length	0.009
RMSD bond angle	0.905
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.710	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.058	0.180
Number of reflections	15844	1839
<I/σ(I)>	26.84	5.61
Completeness [%]	99.2	94.6
Redundancy	9.86
CC(1/2)	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	295.15	0.1 M Citric acid pH 3.5, 25% w/v Polyethylene glycol 3,350