6T7L

Crystal structure of AmpC from E.coli with Nacubactam (OP0595)

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	2018-08-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 43 3 2
Unit cell lengths	138.178, 138.178, 138.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.853 - 1.470
R-factor	0.156
Rwork	0.155
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iem
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
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]	69.090	69.090	1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.134	0.050	3.022
Rmeas	0.134	0.051	3.042
Rpim	0.015	0.006	0.347
Total number of observations	5815425
Number of reflections	76716	1031	5559
<I/σ(I)>	25.9	89.8	2.3
Completeness [%]	100.0	99.9	100
Redundancy	75.8	65.5	76.2
CC(1/2)	1.000	1.000	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	29% w/v PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0