6CIB

The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+

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	2017-08-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.07822
Spacegroup name	P 1 21 1
Unit cell lengths	123.232, 105.627, 139.298
Unit cell angles	90.00, 103.64, 90.00

Refinement procedure

Resolution	25.000 - 2.050
R-factor	0.19652
Rwork	0.195
R-free	0.23361
RMSD bond length	0.008
RMSD bond angle	1.352
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHARP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.700	2.103
High resolution limit [Å]	2.040	2.050
Number of reflections	200362
<I/σ(I)>	9.8
Completeness [%]	90.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	282.1	0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate (tribasic), 0.02 M sodium potassium tartrate, 0.02 M sodium oxamate, 0.05 M HEPES pH=7.5, 0.05 M MOPS pH=7.5, 20% glycerol, and 10% PEG 4000