9OMX

Crystal structure of E. coli ApaH in complex with Up4U

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	166.727, 54.964, 120.435
Unit cell angles	90.00, 129.93, 90.00

Refinement procedure

Resolution	28.370 - 1.540
R-factor	0.1776
Rwork	0.177
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.056
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]	29.000	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.122	0.876
Number of reflections	121656	6013
<I/σ(I)>	19.2	0.8
Completeness [%]	99.0	98.3
Redundancy	4.1	3.6
CC(1/2)	0.978	0.519

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 Up4U. Well solution: 0.1 M Hepes (pH 7.5), 1.0 M Ammonium sulfate, 0.5% PEG8K.