Table 1:

X-ray Data Collection and Refinement Statistics for BoGH9

PDB	6DHT
Wavelength (nm)	0.979
Resolution range (Å)	44.74 - 1.42 (1.47 - 1.42)
Space group	C2
Unit cell (Å)	a = 130.65 b = 50.41, c = 95.98, β = 109°
Total reflections	731375 (48647)
Unique reflections	109840 (9432)
Multiplicity	6.7 (5.2)
Completeness (%)	98.30 (84.59)
Mean I/sigma(I)	21.0 (2.1)
Wilson B-factor	16.0
Rmerqe	0.081 (0.59)
Rmeas	0.088
CC1/2	0.996 (0.841)
CC*	0.999 (0.956)
Reflections used for Rfree	1898
Rwork	0.167 (0.28)
Rfree	0.197 (0.31)
Number of non-hydrogen atoms	4957
macromolecules	4344
ligands	87
water	526
Protein residues	547
RMS(bonds)	0.009
RMS(angles)	1.28
Ramachandran favored (%)	96
Ramachandran outliers (%)	0.18
Clashscore	3.22
Average B-factor
all atoms	23.6
macromolecules	22.3
ligands	33.8
solvent	33.4

Parentheses indicate statistics for the highest resolution shell.