9OOY

Crystal structure of E. coli ApaH in complex with Gp4AU

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	167.165, 54.972, 120.696
Unit cell angles	90.00, 130.01, 90.00

Refinement procedure

Resolution	28.430 - 1.880
R-factor	0.1703
Rwork	0.170
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.999
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]	28.430	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.105	0.684
Number of reflections	67672	3848
<I/σ(I)>	9	1.5
Completeness [%]	98.1	76.1
Redundancy	4.7	4.3
CC(1/2)	0.996	0.646

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 Gp4AU. Well solution: 0.2 M Trisodium Citrate, 20% PEG3350.