9OJP

Crystal structure of E. coli ApaH bound to Manganese ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.362500
Spacegroup name	C 1 2 1
Unit cell lengths	167.067, 54.851, 120.527
Unit cell angles	90.00, 130.12, 90.00

Refinement procedure

Resolution	83.360 - 1.680
R-factor	0.1819
Rwork	0.182
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.958
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]	83.360	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.106	0.602
Number of reflections	92329	4091
<I/σ(I)>	9	1.7
Completeness [%]	96.5	87
Redundancy	4.6	4.4
CC(1/2)	0.993	0.665

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, 2 mM MnCl2, 25 mM Hepes (pH 7.5), 0.2 M NaCl. Well solution: 0.1 M Hepes (pH 7.5), 1.0 M Ammonium sulfate, 0.5% PEG8K.