2VH9

CRYSTAL STRUCTURE OF NXG1-DELTAYNIIG IN COMPLEX WITH XLLG, A XYLOGLUCAN DERIVED OLIGOSACCHARIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-02
Detector	ADSC CCD
Spacegroup name	P 31
Unit cell lengths	100.540, 100.540, 61.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 2.100
R-factor	0.151
Rwork	0.148
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uwb
RMSD bond length	0.012
RMSD bond angle	1.472
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.150	0.560
Number of reflections	213252
<I/σ(I)>	10.3	2.7
Completeness [%]	99.2	98.2
Redundancy	4.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6		THE PROTEIN CRYSTALLIZED IN SITTING DROPS (CORNING 96 WELL PLATE) MIXING 300 NL OF PROTEIN SOLUTION WITH 150 NL OF WELL SOLUTION CONTAINING 0.2 M MAGNESIUM CHLORIDE, 0.1 M MES BUFFER AT PH 6.0 AND 20% PEG 6000