8S3M

LysTt72, a lytic endopeptidase from Thermus thermophilus MAT72 phage vB_Tt72

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	2023-08-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	44.133, 60.985, 125.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.956 - 2.198
Rwork	0.187
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.641
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.330
High resolution limit [Å]	2.198	2.198
Rmeas	0.264	1.602
Number of reflections	17755	2775
<I/σ(I)>	8.36	1.65
Completeness [%]	99.2	98.4
Redundancy	6.5	6.6
CC(1/2)	0.994	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% v/v PEG 500 MME, 10% w/v PEG 20000, 30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate, 0.1 M 6.5 imidazole/MES monohydrate (acid) at pH 6.5