5TW6

CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule

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]	293
Detector technology	CCD
Collection date	2016-03-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.997
Spacegroup name	P 32 2 1
Unit cell lengths	41.540, 41.540, 231.151
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.547 - 1.700
R-factor	0.1806
Rwork	0.179
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.007
RMSD bond angle	0.871
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.1)
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.547	1.840
High resolution limit [Å]	1.700	1.800
Rmerge	0.095	0.370
Rmeas	0.107	0.412
Rpim	0.049	0.181
Total number of observations	105448	6201
Number of reflections	48475
<I/σ(I)>	8.4	3.1
Completeness [%]	99.5	99.5
Redundancy	4.7	4.9
CC(1/2)	0.986	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M sodium fluoride, 20%(w/v) PEG 3350