6TPM

Crystal structure of AmpC from E.coli with Relebactam (MK-7655)

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	138.500, 138.500, 138.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.167 - 1.720
R-factor	0.1703
Rwork	0.169
R-free	0.19530
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]	56.540	56.540	1.760
High resolution limit [Å]	1.720	7.690	1.720
Rmerge	0.113	0.047	3.977
Rmeas	0.114	0.047	4.003
Rpim	0.013	0.006	0.454
Total number of observations	3750555
Number of reflections	48671	668	3535
<I/σ(I)>	31.6	106.9	1.7
Completeness [%]	100.0	99.7	100
Redundancy	77.1	61.3	76.9
CC(1/2)	1.000	1.000	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	273	26% PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0