9OMC

Crystal structure of E. coli ApaH in complex with Gp4G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	165.755, 54.562, 119.447
Unit cell angles	90.00, 129.47, 90.00

Refinement procedure

Resolution	28.220 - 2.050
R-factor	0.182
Rwork	0.181
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	FAST_DP
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.220	2.090
High resolution limit [Å]	2.040	2.040
Rmerge	0.164	0.905
Number of reflections	51087	2783
<I/σ(I)>	7.3	1
Completeness [%]	96.2	71
Redundancy	5.5	4.4
CC(1/2)	0.988	0.508

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, 3 mM MgCl2, 10 mM Ca(OAc)2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Gp4G. Well solution: 0.24 M Sodium malonate (pH 7.0), 20% PEG3350.