8S3U

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	2023-12-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	40.530, 60.150, 124.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.125 - 2.301
Rwork	0.193
R-free	0.29760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.909
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]	100.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.107
Rmeas	0.111	1.725
Number of reflections	14096	2197
<I/σ(I)>	13.58	1.42
Completeness [%]	99.9	99.3
Redundancy	13	12
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	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