7XTE

Crystal Structure of PL-5 family polysaccharide lyase PanPL-N171L mutant from Pandoraea apista in apo form at pH3.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-10-30
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	99.731, 46.264, 64.745
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	49.860 - 2.300
R-factor	0.2445
Rwork	0.242
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wxj
RMSD bond length	0.002
RMSD bond angle	0.546
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]	49.860	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.152	0.350
Number of reflections	13303	1572
<I/σ(I)>	8.06	2.03
Completeness [%]	99.8	99.9
Redundancy	4.96	2.18
CC(1/2)	0.982	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	295.15	0.1M Citric acid pH3.5, 25% w/v PEG 3350