5JJG

Structure of magnesium-loaded ALG-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-10-10
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	76.530, 48.529, 54.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.350 - 1.720
R-factor	0.181
Rwork	0.180
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2znd
RMSD bond length	0.006
RMSD bond angle	0.694
Data scaling software	Aimless (0.5.9)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.350	54.350	1.750
High resolution limit [Å]	1.720	9.100	1.720
Rmerge	0.045	0.020	1.014
Number of reflections	22193
<I/σ(I)>	25.8
Completeness [%]	100.0	94.3	100
Redundancy	6.9	5.4	6.5
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	39-32% isopropanol, 0.10 M Tris, pH 7.4, 1.0 mM EGTA, 1.0 mM MgCl2