7DMK

PL6 alginate lyase BcAlyPL6

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	2018-04-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	83.688, 97.693, 103.561
Unit cell angles	76.56, 86.45, 88.69

Refinement procedure

Resolution	49.420 - 2.213
R-factor	0.1688
Rwork	0.167
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gkd
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.200	6.020	2.220
Rmerge	0.067	0.027	0.515
Rmeas	0.079	0.032	0.608
Rpim	0.041	0.016	0.319
Number of reflections	148419	7214	7585
<I/σ(I)>	7.6
Completeness [%]	93.8	91.2	95.7
Redundancy	3.6	3.8	3.6
CC(1/2)		0.996	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	291	0.2 M sodium malonate, 12% (w/v) PEG 3350, pH 5.7