TABLE 1.

Data collection and refinement statistics r.m.s., root mean square.

Data set	DocH66Y-Phd52–73Se-Peak	DocH66Y-Phd52–73Se-Remote
Beamline	X12 (EMBL Hamburg)	X12 (EMBL Hamburg)
Wavelength (Å)	0.9189	0.9116
Space group	C2	C2
Unit cell
a (Å)	110.9	110.9
b (Å)	38.2	38.2
c (Å)	63.7	63.7
β (°)	99.3	99.3
Resolution limits (Å)	15.0–1.7	15.0–1.7
Number of measured reflections	642571	649052
Number of unique reflections	29371	29397
Completeness	96.7	95.7
Rmergea	0.09	0.09
<I/σ(I)>	9.0	8.3
R-factorb	18.2
Rfree factor	19.8
Ramachandran profile
Core	100%
Other allowed	0.0%
Outliers	0.0%
r.m.s. deviations
Bond lengths (Å)	0.01
Bond angles (°)	1.24
Number of atoms
Protein	2207
Water	228
Other	16
B-factors (Å2)
From Wilson plot	19.4
All atoms	22.3
Protein atoms	20.7
Water atoms	30.5
Other atoms	24.5
PDB entry	3dd7

^aR_merge = Σ_hkl Σ_i|I_hkli,i – 〈I_hkl〉|Σ_hkl Σ_iI_hkl,i

^bR-factor = Σ_hkl||F_obs (hkl)|–k|F_calc(hkl)||/Σ_hkl|F_obs(hkl)|