4HEF

Structure of avibactam bound to Pseudomonas aeruginosa AmpC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	200
Detector technology	CCD
Collection date	2012-01-21
Detector	RIGAKU SATURN 92
Spacegroup name	P 21 21 21
Unit cell lengths	44.880, 71.200, 106.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.110 - 1.860
R-factor	0.1758
Rwork	0.174
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	d*TREK
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	44.880
High resolution limit [Å]	1.860
Number of reflections	28777
Completeness [%]	98.1
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris (pH 8.0), 20% PEG 8000, 0.1M K2HSO4 , VAPOR DIFFUSION, HANGING DROP, temperature 293.0K