8ELA

CTX-M-14 beta-lactamase mutant - N132A w MES

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)	1.00001
Spacegroup name	C 2 2 21
Unit cell lengths	59.314, 60.430, 264.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 1.500
R-factor	0.1749
Rwork	0.173
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.068	0.240
Rpim	0.039	0.060
Number of reflections	69335	10897
<I/σ(I)>	13.2	6
Completeness [%]	76.0	90.8
Redundancy	5.9
CC(1/2)	0.975	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	0.01 M Zinc chloride, 0.1 M MES, PEG 6,000 (20% w/v)