8DHV

Treponema lecithinolyticum beta-glucuronidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03318
Spacegroup name	P 41 21 2
Unit cell lengths	94.302, 94.302, 287.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 1.600
R-factor	0.1669
Rwork	0.167
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bjq
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.620	89.620	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.092	0.048	1.817
Rmeas	0.097	0.050	2.011
Rpim	0.028	0.015	0.848
Total number of observations	1896978	12748	45191
Number of reflections	170930	1263	8355
<I/σ(I)>	13.1	44.8	0.9
Completeness [%]	99.7	100	99.8
Redundancy	11.1	10.1	5.4
CC(1/2)	0.999	0.998	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	2 M ammonium sulfate, 0.1 M MOPS, 4% (v/v) MPD