5MNU

OXA-10 Avibactam complex with bound bromide

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	48.771, 101.421, 127.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.660 - 1.560
Rwork	0.185
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fq9
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.660	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.162	2.789
Number of reflections	90726
<I/σ(I)>	9	1.3
Completeness [%]	100.0	100
Redundancy	13	13
CC(1/2)	0.998	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2MSodium bromide, 0.1MBis-Tris propane 6.5, 20% w/v PEG 3350