6CYQ

Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977408
Spacegroup name	P 32
Unit cell lengths	83.375, 83.375, 232.058
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.472 - 1.698
R-factor	0.1715
Rwork	0.170
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.006
RMSD bond angle	0.864
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_3071: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.562	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.126	0.770
Number of reflections	195777
<I/σ(I)>	14.2
Completeness [%]	98.8
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 M calcium acetate, 0.1 M MES pH 6.0, 20% (w/v) PEG 8000