8C2O

Structure of E. coli AmiA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97950
Spacegroup name	P 2 21 21
Unit cell lengths	59.515, 73.899, 115.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.586 - 2.350
Rwork	0.177
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.433
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.600	2.430
High resolution limit [Å]	2.350	2.350
Rpim	0.050	0.506
Number of reflections	21955	2121
<I/σ(I)>	10.4	1.5
Completeness [%]	100.0	100
Redundancy	12.6	12.1
CC(1/2)	0.999	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	See paper for details.