4Z8B

crystal structure of a DGL mutant - H51G H131N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	I 2 2 2
Unit cell lengths	62.350, 67.080, 108.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.669 - 1.951
R-factor	0.2034
Rwork	0.201
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dgl
RMSD bond length	0.003
RMSD bond angle	0.766
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.090	0.396
Number of reflections	12687
<I/σ(I)>	16.04	5.9
Completeness [%]	99.9	99.7
Redundancy	13.2	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	RESERVOIR SOLUTION:100 mM HEPES, 14% polyethylene glycol 400 PROTEIN SOLUTION: 10 mM HEPES, 2 mM Cl2Ca, 2 mM Cl2Mn 3 mM X-Man (5-bromo-4-chloro-3-indolyl-ALPHA-D-mannose