9OMW

Crystal structure of E. coli ApaH in complex with Ap4U

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	2021-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	166.772, 55.107, 120.622
Unit cell angles	90.00, 129.89, 90.00

Refinement procedure

Resolution	28.400 - 1.560
R-factor	0.1781
Rwork	0.178
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.099
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	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.093	0.690
Number of reflections	118483	5844
<I/σ(I)>	94.9	2.2
Completeness [%]	99.3	98.3
Redundancy	4.6	4.4
CC(1/2)	0.984	0.701

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, 3 mM MgCl2, 10 mM Ca(OAc)2, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4U. Well solution: 0.2 M trisodium citrate, 20% PEG3350.