7WXQ

Crystal Structure of PL-5 family polysaccharide lyase PanPL-H172A 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	2019-10-25
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	35.918, 84.251, 91.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.070 - 2.030
R-factor	0.1934
Rwork	0.191
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wxj
RMSD bond length	0.004
RMSD bond angle	0.593
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]	62.070	2.130
High resolution limit [Å]	2.030	2.030
Rmerge	0.096	0.278
Number of reflections	18270	2227
<I/σ(I)>	18.57	4.38
Completeness [%]	97.8	92.7
Redundancy	13.25	5.06
CC(1/2)	0.998	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295.15	0.1 M Sodium acetate trihydrate pH 5.5, 25% w/v Polyethylene glycol 3,350