8G0O

Crystal structure of Y281F mutant of Hyaluronate lyase B from Cutibacterium acnes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-04-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	52.977, 53.013, 161.016
Unit cell angles	91.95, 98.03, 114.56

Refinement procedure

Resolution	19.720 - 2.100
R-factor	0.271
Rwork	0.244
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	XDS (VERSION Nov 1, 2016 BUILT=20170215)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.720	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.120	0.548
Rmeas	0.170	0.775
Rpim	0.120	0.548
Number of reflections	85175	11885
<I/σ(I)>	5.4
Completeness [%]	92.5
Redundancy	1.9	1.8
CC(1/2)	0.981	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.1 M bis-tris pH 6.5, 0.4 M MgCl2, 16% PEG 3350, and 5 mM TCEP