6WFV

The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1271
Spacegroup name	P 32 2 1
Unit cell lengths	71.066, 71.066, 110.813
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.180 - 1.700
R-factor	0.1528
Rwork	0.152
R-free	0.17220
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	1.172
Data reduction software	XDS (21-Sep-2016)
Data scaling software	XDS (21-Sep-2016)
Phasing software	SHELXD
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.180	41.180	1.740
High resolution limit [Å]	1.700	7.590	1.700
Rmerge	0.117	0.039	1.640
Rmeas	0.120	0.040	1.730
Number of reflections	36393	477	2553
<I/σ(I)>	19.67	50.99	2.1
Completeness [%]	99.7	99.2	96.4
Redundancy	17.521	15.608	9.969
CC(1/2)	0.999	0.999	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M magnesium chloride, 30% PEG 400, 0.1 M HEPES, pH 7.5. Additive: 0.002 M manganese chloride, 0.01 M UDP-Galactose
2	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M magnesium chloride, 30% PEG 400, 0.1 M HEPES, pH 7.5. Additive: 0.002 M manganese chloride, 0.01 M UDP-Galactose, crystal soaked in higher Mn and UDP-Glc prior to flash cooling.
3	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M magnesium chloride, 30% PEG 400, 0.1 M HEPES, pH 7.5. Additive: 0.002 M manganese chloride, 0.01 M UDP-Galactose. Crystal soaked in 1 M NaI prior to flash cooling