9OPG

Crystal structure of E. coli ApaH in complex with Ap4UG

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	166.052, 54.811, 119.595
Unit cell angles	90.00, 129.66, 90.00

Refinement procedure

Resolution	28.280 - 1.740
R-factor	0.1722
Rwork	0.172
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.084
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]	28.280	1.790
High resolution limit [Å]	1.740	1.740
Rmerge	0.074	0.668
Number of reflections	85045	6113
<I/σ(I)>	13.8	2.2
Completeness [%]	99.8	97.6
Redundancy	5.8	5.8
CC(1/2)	0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Conditions: 0.3 mM ApaH (10 mg/mL), 10 mM MgCl2, 1 mM DTT, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4UG. Well solution: 0.1 M Hepes (pH 7.5), 0.3 M Li2SO4, 20% PEG3350.