6T3D

Crystal structure of AmpC from E.coli

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)	0.9763
Spacegroup name	P 43 3 2
Unit cell lengths	139.180, 139.180, 139.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.208 - 1.500
R-factor	0.1594
Rwork	0.158
R-free	0.17760
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)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.210	49.210	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.104	0.041	6.300
Rmeas	0.104	0.042	6.341
Rpim	0.012	0.005	0.719
Total number of observations	5658052	59660	416213
Number of reflections	73865	988	5399
<I/σ(I)>	29.3	91.6	1.2
Completeness [%]	100.0	99.6	100
Redundancy	76.6	60.4	77.1
CC(1/2)	1.000	1.000	0.506

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