6YWF

Crystal structure of Paradendryphiella salina PL7A alginate lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	34.768, 80.442, 81.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.220 - 1.900
R-factor	0.1545
Rwork	0.151
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cws
RMSD bond length	0.003
RMSD bond angle	0.705
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.220	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.080	0.338
Rmeas	0.085	0.368
Rpim	0.029	0.142
Number of reflections	18624	11623
<I/σ(I)>	17.26	4.94
Completeness [%]	98.3	93.09
Redundancy	8.5	6.5
CC(1/2)	0.999	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	20% PEG 1500, 0.1 M TBG buffer