7WXR

Crystal Structure of PL-5 family polysaccharide lyase PanPL-N171L mutant from Pandoraea apista in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-12-09
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	46.951, 52.859, 119.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.640 - 1.880
R-factor	0.182
Rwork	0.180
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wxj
RMSD bond length	0.006
RMSD bond angle	0.783
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]	59.640	1.980
High resolution limit [Å]	1.880	1.880
Rmerge	0.080	0.448
Number of reflections	24617	3190
<I/σ(I)>	27.93	4.55
Completeness [%]	98.9	92.2
Redundancy	14.42	4.28
CC(1/2)	0.998	0.727

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