6Q3R

ASPERGILLUS ACULEATUS GALACTANASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-30
Detector	MAR CCD 165 mm
Wavelength(s)	1.03973
Spacegroup name	I 41 2 2
Unit cell lengths	200.200, 200.200, 106.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.170 - 2.690
R-factor	0.14825
Rwork	0.145
R-free	0.21056
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fob
RMSD bond length	0.014
RMSD bond angle	1.766
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.690	2.690
Rmerge	0.132	0.595
Number of reflections	29998	2095
<I/σ(I)>	23.6
Completeness [%]	98.5	94.3
Redundancy	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 microL of AaGAL stock at 7.3 mg/ml concentration in 50 mM acetate pH 4.0 mixed with 3 microL reservoir solution equilibrated over 1.0 mL reservoir consisting of 0.1 M calcium chloride, 0.1 M sodium acetate pH 4.5 and 30 % PEG 3000 at room temperature.