5MOZ

OXA-10 Avibactam complex with bound Iodide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	48.841, 101.658, 126.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.290 - 1.340
Rwork	0.168
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fq9
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.290	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.103	2.828
Number of reflections	141977
<I/σ(I)>	11.2	1.1
Completeness [%]	99.9	99.2
Redundancy	12.8	12.1
CC(1/2)	0.999	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M Sodium iodide, 20 % w/v PEG 3350