4M4K

Crystal structure of the Drosphila beta,14galactosyltransferase 7 mutant D211N complex with manganese, UDP-Gal and xylobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	82.680, 82.680, 131.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.976 - 2.200
R-factor	0.188
Rwork	0.187
R-free	0.21280
Structure solution method	Molecular Placement
Starting model (for MR)	4lw6
RMSD bond length	0.007
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	23650
<I/σ(I)>	24.7	2.2
Completeness [%]	99.9	99.7
Redundancy	9.6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	280	100 mM HEPES, 5% PEG 6000, 10% MPD, 1M NaCl, 10 mM MnCl2, 10 mM UDP-Gal and 10 mM xylobiose, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 280K