9OMU

Crystal structure of E. coli ApaH in complex with Ap4G

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	2021-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97932
Spacegroup name	C 1 2 1
Unit cell lengths	167.636, 55.128, 120.798
Unit cell angles	90.00, 130.04, 90.00

Refinement procedure

Resolution	28.510 - 1.550
R-factor	0.1668
Rwork	0.166
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.975
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]	28.510	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.063	0.604
Number of reflections	121613	8158
<I/σ(I)>	12.2	1.8
Completeness [%]	98.5	89.9
Redundancy	4.8	4.7
CC(1/2)	0.998	0.741

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 in Ap4G. Well solution: 0.1 M Hepes (pH 7.5), 1.0 M Ammonium sulfate, 0.5% PEG8K.