5ZQI

Alginate lyase AlgAT5 from Polysaccharide Lyase family 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	40.020, 76.380, 83.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.228 - 1.500
R-factor	0.1682
Rwork	0.167
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uai
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.15)
Phasing software	PHENIX
Refinement software	PHENIX (1.13-2998_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.950	41.950	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.181	0.270	0.316
Rmeas	0.201	0.305	0.350
Rpim	0.085	0.139	0.149
Number of reflections	40624	87	2016
<I/σ(I)>	6.7
Completeness [%]	97.0	23.9	98.6
Redundancy	5.7	3.4	5.5
CC(1/2)	0.968	0.807	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	0.2M potassium nitrate, 20% PEG3350, pH6.8