9OJW

Crystal structure of E. coli ApaH in complex with ADP, inactive state

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	2019-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.36250
Spacegroup name	C 1 2 1
Unit cell lengths	166.583, 54.674, 119.269
Unit cell angles	90.00, 129.32, 90.00

Refinement procedure

Resolution	92.270 - 1.960
R-factor	0.194
Rwork	0.193
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.064
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]	92.270	1.980
High resolution limit [Å]	1.940	1.940
Rmerge	0.128	1.196
Number of reflections	60792	3797
<I/σ(I)>	6.8	0.9
Completeness [%]	97.9	92.6
Redundancy	4.2	4
CC(1/2)	0.992	0.357

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, 25 mM Hepes (pH 7.5), 0.2 M NaCl. Well solution: 0.1 M Ammonium citrate, 17% PEG3350.