Table 3.

Data collection and structure statistics.

	MalX	MalX + maltoheptaose
Data collection
Space Group	C2	P21212
Resolution (Å)	20.00–2.90	20.00–2.00
Cell Dimensions
(a, b, c)	181.3, 56.9, 113.7	68.4, 127.9, 52.0
(α, β, γ)	90.0, 128.8, 90.0	90.0, 90.0, 90.0
Rmerge	0.107 (0.417)	0.060 (0.313)
I/σI	10.9 (3.4)	17.3 (3.5)
Completeness (%)	96.4 (96.1)	92.7 (94.1)
Redundancy	4.4 (4.4)	4.3 (4.1)
# Reflections	85794	124651
# unique reflections	19623	29101
Refinement
Rwork/Rfree	0.22/0.27	0.21/0.25
No. atoms
Protein	2888(A); 2852(B)	2858
Ligand/ion atoms	0	10 (2 SO4)
Water molecules	59	309
B-factors
Protein	36.5(A); 50.0(B)	30.2
Ligand/ion	N/A	75.0
Water	29.6	38.7
R.m.s deviations
Bond lengths (Å)	0.007	0.010
Bond angles (°)	1.062	1.267
Ramachandran statistics (%)
Preferred	94.0	92.3
allowed	5.6	7.7
outliers	0.4	0.0

^*Highest resolution shell is shown in parenthesis.