9OPH

Crystal structure of E. coli ApaH in complex with Up4AG

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	166.975, 54.909, 120.027
Unit cell angles	90.00, 129.73, 90.00

Refinement procedure

Resolution	29.850 - 1.660
R-factor	0.1747
Rwork	0.174
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.281
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	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.089	0.791
Number of reflections	99184	4817
<I/σ(I)>	17.6	1.1
Completeness [%]	99.0	97.7
Redundancy	5.3	4.3
CC(1/2)	0.994	0.596

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, 10 mM MgCl2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Up4AG. Well solution: 0.1 M Hepes (pH 7.5), 1.0 M Ammonium sulfate, 0.5% PEG8K.