7VQM

GH2 beta-galacturonate AqGalA in complex with galacturonide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-25
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54056
Spacegroup name	P 1 21 1
Unit cell lengths	83.413, 154.006, 115.925
Unit cell angles	90.00, 109.78, 90.00

Refinement procedure

Resolution	19.950 - 2.400
R-factor	0.2025
Rwork	0.200
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d1n
RMSD bond length	0.007
RMSD bond angle	1.529
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.950	19.940	2.440
High resolution limit [Å]	2.400	13.150	2.400
Rmerge	0.138	0.062	0.455
Rmeas	0.154	0.068	0.546
Rpim	0.065	0.028	0.298
Total number of observations		2343	17128
Number of reflections	107088	477	5257
<I/σ(I)>	7.2	12.1	2
Completeness [%]	99.7	70.4	99.8
Redundancy	5.4	4.9	3.3
CC(1/2)	0.972	0.994	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MOPSO buffer (pH6.5), 12.5% PEG4000, and 20% 1,2,6-hexanetriol