5ZU5

Crystal structure of a full length alginate lyase with CBM domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-15
Detector	DECTRIS PILATUS3 R CdTe 300K-W
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	65.272, 78.421, 112.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.197
Rwork	0.195
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ozx 2jd9
RMSD bond length	0.017
RMSD bond angle	1.812
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	76839
<I/σ(I)>	22
Completeness [%]	99.8
Redundancy	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	0.2M NAAC, 0.1M TRIS, 25% PEG4000, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 288K