7U6Q

TEM-1 beta-lactamase

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	2021-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	60.730, 96.330, 154.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.230 - 1.900
R-factor	0.1935
Rwork	0.191
R-free	0.23850
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]	39.230	39.230	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.288	0.049	2.512
Rmeas	0.300	0.052	2.610
Total number of observations	948292
Number of reflections	71785	893	5232
<I/σ(I)>	8.23	34.1	1.5
Completeness [%]	99.6	96.4	99.9
Redundancy	13.21	11.576	13.53
CC(1/2)	0.997	0.999	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	Ammonium sulfate, potassium phosphate, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES)