Table 1.

Crystallographic Data Collection and Refinement Statistics

Parameter	ADI-15878 Fab
Resolutiona (Å)	46.45–2.10(2.14–2.10)
Space group	P21
Unit cell (Å)	42.06, 96.84, 54.31
(°)	90, 102.91, 90
Total reflectionsa	70,500 (3242)
Unique reflectionsa	24,142 (1150)
Multiplicitya	2.9 (2.8)
Completenessa (%)	96.9 (96.5)
< I >/< σ(I) > a	6.4 (0.9)
< I >/< σ(I) > in the 2.56–2.49 Å bin	2.0
Rmergea,b	0.17(1.18)
Rpima,c	0.12 (0.82)
CC 1/2d	0.73(0.31)
Wilson B (Å2)	29.7
Reflections used for Rwork(Rfree)	22,948(1166)
Rworka,e (%)	0.22 (.36)
Rfreea,f(%)	0.27 (.39)
RMSDg (bonds) (Å)	0.013
RMSDg (angles) (°)	1.58
Ramachandran favored (%)	96.8
Ramachandran outliers (%)	0
Average B-factor (Å2)	32.5
Macromolecules	32.2
Solvent	35.3
Ligands	40.8

^aValues in parentheses are for the highest-resolution shell.

^b${\text{R}}_{\text{merge}}={\Sigma }_{hkl}{\Sigma }_i\left|l_i(hkl)-\langle l(hkl)\rangle \right|/{\Sigma }_{hkl}{\Sigma }_i{l}_i(hkl).$

^c${\text{R}}_{\text{pim}}={\Sigma }_{hkl}{[1/[N(h\mathrm{kl})-1]]}^{1/2}\times {\Sigma }_i\left|l_i(hkl)-\langle l(hkl)\rangle \right|/{\Sigma }_{hkl}{\Sigma }_i{l}_i(hkl).$

^d${\text{CC}}_{1/2}=\Sigma (x-\langle x\rangle )(y-\langle x\rangle )/{\left[\Sigma {(x-\langle x\rangle )}^2\Sigma {(y-\langle y\rangle )}^2\right]}^{1/2}.$

^e${\text{R}}_{\text{work}}=\left({\Sigma }_{\text{hkl}}\Vert {\text{F}}_{\text{obs}}|-\text{k}|{\text{F}}_{\text{calc}}\Vert \right)/\left({\Sigma }_{\text{hkl}}\left|{\text{F}}_{\text{obs}}\right|\right).$

^fR_free is the same as R_work, with 5% of reflections chosen at random and omitted from refinement.

^gRMSD, root mean square deviation.