9OP2

Crystal structure of E. coli ApaH in complex with Ap4GUAA

This is a non-PDB format compatible entry.

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	2020-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97942
Spacegroup name	C 1 2 1
Unit cell lengths	166.666, 55.048, 120.249
Unit cell angles	90.00, 129.90, 90.00

Refinement procedure

Resolution	29.490 - 1.500
R-factor	0.1726
Rwork	0.172
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.973
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]	29.490	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.050	0.687
Number of reflections	133650	9689
<I/σ(I)>	16.8	2.1
Completeness [%]	99.7	97.8
Redundancy	5.7	5.6
CC(1/2)	0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Conditions: 0.3 mM ApaH (10 mg/mL), 8 mM MgCl2, 1 mM DTT, 25 mM Hepes (pH 7.5), 0.1 M NaCl and soaked with Ap4GUAA. Well solution: 0.1 M Hepes (pH 7.5), 0.3 M Li2SO4, 20% PEG3350.