8DOD

Beta-lactamase CTX-M-14 S130A

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	2019-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 32 2 1
Unit cell lengths	41.490, 41.490, 230.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.504 - 1.610
R-factor	0.2242
Rwork	0.222
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.504	1.668
High resolution limit [Å]	1.610	1.610
Rmerge	0.014	0.063
Rmeas	0.020	0.094
Number of reflections	62179	6092
<I/σ(I)>	20.94
Completeness [%]	99.5	99.25
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris-HCl pH 8.5, 25% (W/V) PEG6000