6PE3

Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-08-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979106
Spacegroup name	P 63 2 2
Unit cell lengths	106.841, 106.841, 182.556
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.20352
Rwork	0.201
R-free	0.25054
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.531
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.600	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	26776	1846
<I/σ(I)>	19.9
Completeness [%]	95.6
Redundancy	30.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	0.1 M sodium acetate pH 4.6, 2.0 M ammonium sulfate, 0.02 M taurine