8SJ3

Beta-lactamase CTX-M-14 E166Y/N170G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999889
Spacegroup name	P 41
Unit cell lengths	42.371, 42.371, 262.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.970 - 1.500
R-factor	0.1452
Rwork	0.142
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.907
Data reduction software	MOSFLM (v7.2.2)
Data scaling software	SCALA (v3.3.8)
Phasing software	PHASER (v2.1.1)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.970	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	70681	7283
<I/σ(I)>	3.26	2.18
Completeness [%]	96.0
Redundancy	4.9
CC(1/2)	0.820	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.2 M ammonium chloride, 0.1 M sodium acetate, 20% w/v PEG 6,000