5GKQ

Structure of PL6 family alginate lyase AlyGC mutant-R241A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	82.658, 122.830, 195.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 2.565
R-factor	0.1926
Rwork	0.191
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gkd
RMSD bond length	0.009
RMSD bond angle	1.036
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.657
High resolution limit [Å]	2.565	2.565
Rmerge	0.141
Number of reflections	61999
<I/σ(I)>	4.6
Completeness [%]	96.0
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM HEPES-NaOH (pH 7.3), 8% ethylene glycol, 11% polyethylene glycol (PEG) 8000