6CYU

Crystal structure of CTX-M-14 S70G/N106S/D240G 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	2015-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977408
Spacegroup name	P 32 2 1
Unit cell lengths	41.399, 41.399, 230.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.427 - 1.820
R-factor	0.1595
Rwork	0.157
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.006
RMSD bond angle	0.819
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]	35.427	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.055	0.106
Number of reflections	21719
<I/σ(I)>	25.6
Completeness [%]	99.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2 M MgCl2, 20% (w/v) PEG 3350