9OK2

Crystal structure of E. coli ApaH in complex with UDP

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	2020-09-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	167.556, 55.124, 120.614
Unit cell angles	90.00, 130.04, 90.00

Refinement procedure

Resolution	28.500 - 1.660
R-factor	0.178
Rwork	0.178
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.974
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]	28.500	1.700
High resolution limit [Å]	1.660	1.660
Rmerge	0.074	0.691
Number of reflections	97955	6609
<I/σ(I)>	13.3	2
Completeness [%]	97.6	89.3
Redundancy	5.8	5.5
CC(1/2)	0.998	0.750

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, 8 mM MgCl2, 3 mM MnCl2, 25 mM Hepes (pH 7.5), 0.2 M NaCl. Well solution: 0.2 M trisodium citrate, 20% PEG3350.