8GIJ

TEM-1 Beta Lactamase Variant 80.b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	59.952, 60.951, 121.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.570 - 1.590
Rwork	0.166
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.570	1.649
High resolution limit [Å]	1.590	1.592
Rmerge	0.100	0.723
Number of reflections	60547	5320
<I/σ(I)>	17.9
Completeness [%]	95.8	88.77
Redundancy	13.6
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	288	20% PEG3350, 0.1M MES, pH 6.5