9OJX

Crystal structure of E. coli ApaH in complex with GDP

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	167.437, 55.095, 120.916
Unit cell angles	90.00, 129.99, 90.00

Refinement procedure

Resolution	29.960 - 1.830
R-factor	0.1705
Rwork	0.170
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.033
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	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.146	0.795
Number of reflections	74153	3598
<I/σ(I)>	32.7	3.3
Completeness [%]	99.4	98.1
Redundancy	4.6	3.2
CC(1/2)	0.990	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Conditions: 0.3 mM ApaH (10 mg/mL), 4 mM GDP, 1 mM DTT, 10 mM MgCl2, 25 mM Hepes (pH 7.5), 0.2 M NaCl. Well solution: 0.1 M Hepes (pH 7.5), 1.0 M Ammonium sulfate, 0.5% PEG8K.