9FYL

Lacto-N-biosidase from Treponema denticola ATCC 35405, HisTag bound in active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	128.917, 89.471, 93.757
Unit cell angles	90.00, 127.00, 90.00

Refinement procedure

Resolution	46.310 - 2.240
R-factor	0.2338
Rwork	0.232
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.450
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.310	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.078	1.000
Rmeas	0.084	1.000
Number of reflections	40862	4044
<I/σ(I)>	9.6
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.998	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	10% w/v PEG 8000, 9% ethylene glycol, 0.1M HEPES pH 7.5