9ONG

Crystal structure of E. coli ApaH in complex with Ap4AG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	166.581, 55.040, 120.581
Unit cell angles	90.00, 130.23, 90.00

Refinement procedure

Resolution	50.510 - 1.890
R-factor	0.2422
Rwork	0.241
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.590	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.187	1.746
Number of reflections	65917	3862
<I/σ(I)>	4.5	0.6
Completeness [%]	97.5	89.7
Redundancy	5.1	4.7
CC(1/2)	0.990	0.308

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Conditions: 0.3 mM ApaH (10 mg/mL), 1 mM DTT, 4 mM MgCl2, 10 mM Ca(OAc)2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4AG. Well solution: 0.2 M Trisodium Citrate, 20% PEG3350.