5ZA2

Fox-4 beta-lactamase complexed with avibactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	51.391, 85.908, 144.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.624 - 1.503
R-factor	0.1898
Rwork	0.189
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.846
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX ((1.10.1_2155))
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	101610	5036
<I/σ(I)>	14.95	2.2
Completeness [%]	99.2	100
Redundancy	7.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG8000, MOPS