8DDZ

TEM-1 beta-lactamase A237Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	60.610, 83.770, 95.660
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	38.370 - 1.450
R-factor	0.1786
Rwork	0.177
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1erm
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.370	38.370	1.500
High resolution limit [Å]	1.450	6.530	1.460
Rmerge	0.167	0.062	2.002
Rmeas	0.174	0.064	2.076
Number of reflections	164606	1899	11707
<I/σ(I)>	9.51	30.04	1.56
Completeness [%]	97.6	98.1	95.7
Redundancy	13.812	13.294	14.067
CC(1/2)	0.998	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)