5XNR

Truncated AlyQ with CBM32 and alginate lyase domains

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	2016-03-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	74.317, 74.317, 179.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.190 - 2.300
R-factor	0.2289
Rwork	0.226
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uai
RMSD bond length	0.009
RMSD bond angle	1.337
Data reduction software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.190	37.160	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.096	0.051	0.396
Rmeas	0.117	0.061	0.483
Number of reflections	22663
<I/σ(I)>	5.8	13	2.1
Completeness [%]	97.5	94.4	98.4
Redundancy	2.9	2.8	2.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	30% PEG 3350, 0.1M sodium acetate pH 4.0, 0.2M potassium phosphate