6YV8

Mannosyltransferase PcManGT from Pyrobaculum calidifontis in complex with GDP and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	50.998, 107.644, 164.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.709 - 2.600
R-factor	0.2362
Rwork	0.233
R-free	0.27950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.498
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.840	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	28580	2953
<I/σ(I)>	13.2	1.2
Completeness [%]	99.6	97.6
Redundancy	12.1	9.6
CC(1/2)	0.998	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 mM HEPES (pH 7.5), 20% PEG 4000, 10% isopropanol, 10 mM MnCl2 and 2% 1,2,3-heptanetriol