6T5Y

Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)

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	2018-10-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97624
Spacegroup name	P 43 3 2
Unit cell lengths	137.760, 137.760, 137.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.608 - 1.300
R-factor	0.1326
Rwork	0.132
R-free	0.14870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iem
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.880	68.880	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.120	0.062	3.110
Rmeas	0.121	0.062	3.132
Rpim	0.014	0.007	0.365
Total number of observations	8261802	95965	582787
Number of reflections	109248	1440	7958
<I/σ(I)>	26.8	86.6	2.5
Completeness [%]	100.0	100	100
Redundancy	75.6	66.6	73.2
CC(1/2)	1.000	1.000	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	24% w/v PEG6000, 0.01 ZnCl2, 0.1 M MES pH=6.0