9OON

Crystal structure of E. coli ApaH in complex with Ap4GU

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	2020-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	166.635, 54.816, 119.237
Unit cell angles	90.00, 129.28, 90.00

Refinement procedure

Resolution	29.740 - 1.880
R-factor	0.1985
Rwork	0.198
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.163	0.782
Number of reflections	67907	3325
<I/σ(I)>	21.7	2.1
Completeness [%]	99.8	100
Redundancy	4.4	4.3
CC(1/2)	0.960	0.565

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, 4 mM MgCl2, 10 mM Ca(OAc)2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4GU. Well solution: 0.2 M Trisodium Citrate, 20% PEG3350.