9OLZ

Crystal structure of E. coli ApaH in complex with Ap4A

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	2019-07-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	167.716, 55.321, 120.974
Unit cell angles	90.00, 129.88, 90.00

Refinement procedure

Resolution	83.670 - 1.710
R-factor	0.1951
Rwork	0.195
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.670	1.730
High resolution limit [Å]	1.710	1.710
Rmerge	0.080	1.739
Number of reflections	91253	4085
<I/σ(I)>	10.4	0.6
Completeness [%]	98.3	89.1
Redundancy	5	4.9
CC(1/2)	0.995	0.253

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, 5 mM MgCl2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4A Well solution: 0.2 M Sodium malonate, 20% PEG3350.