Table 2.

Data statistics and refinement details of BT1017

Data statisticsa	BT1017
Beamline	I24
Date	24/09/16
Wavelength (Å)	0.97889
Resolution (Å)	66.01–1.90 (1.94–1.90)
Space group	C 2 2 21
Unit-cell parameters
a (Å)	68.51
b (Å)	229.47
c (Å)	80.71
α = β = γ (°)	90
Unit-cell volume (Å3)	1,268,788
Solvent content (%)	42.5
No. of measured reflections	591,597 (30,870)
No. of independent reflections	50,611 (30,870)
Completeness (%)	100.0 (100.0)
Redundancy	11.7 (9.6)
CC1/2 (%)	0.998 (0.636)
/<σ(I)>	10.6 (2.2)
Anomalous completeness	99.8 (99.5)
Anomalous redundancy	5.8 (4.8)
Refinement statisticsa
Rwork (%)	20.04
Rfree (%)b	24.09
No. of non-hydrogen atoms
No. of protein, atoms	3473
No. of solvent atoms	279
No. of Zn atoms	1
RMSD from ideal values
Bond angle (°)	1.60
Bond length (Å)	0.013
Average B factor (Å2)
Protein	35.1
Solvent	40.5
Zinc	30.8
Ramachandran statistics (Protein backbone)c	96.15/4.00/1.00

^aThe values in parentheses are for the highest resolution shell.

^b5% of the randomly selected reflections excluded from refinement.

^cCalculated using MolProbity.