6TBW

Crystal structure of AmpC from E.coli with Avibactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97624
Spacegroup name	P 43 3 2
Unit cell lengths	138.083, 138.083, 138.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.720 - 1.510
R-factor	0.1594
Rwork	0.158
R-free	0.18080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iem
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.830	69.030	1.550
High resolution limit [Å]	1.510	6.750	1.510
Rmerge	0.112	0.048	2.958
Rmeas	0.113	0.048	2.979
Rpim	0.013	0.006	0.347
Number of reflections	70726	954	5120
<I/σ(I)>	29	85.7	2.6
Completeness [%]	100.0	99.8	100
Redundancy	77.6	66.9	72.8
CC(1/2)	1.000	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	25% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0