9OM9

Crystal structure of E. coli ApaH in complex with AppCH2ppA

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	2019-10-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91886
Spacegroup name	C 1 2 1
Unit cell lengths	166.525, 54.958, 119.606
Unit cell angles	90.00, 129.50, 90.00

Refinement procedure

Resolution	28.370 - 1.770
R-factor	0.1739
Rwork	0.173
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.045
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]	28.370	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.107	0.779
Number of reflections	80755	5471
<I/σ(I)>	10	2
Completeness [%]	99.3	91.7
Redundancy	6.8	6.8
CC(1/2)	0.995	0.736

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 AppCH2ppA. Well solution: 0.1 M Bis-tris (pH 6.5), 0.2 M Sodium potassium tartrate, 20% PEG3350.