Table 1.

Data collection, phasing and refinement statistics

Crystal	Native	Se-Met
Cell dimensions a, b, c (Å)	44.3, 44.3, 106.2	44.05, 44.05, 105.9
Wavelength (Å)	0.9393	0.9795
Resolution (Å)	30–1.5 (1.6–1.5)	30–1.9 (2.1–1.9)
Completeness (%)	98.5 (93.9)	92.7 (74.5)
Rmerge	6.3 (20.7)	4.9 (18.3)
Rmergeano		4.3 (16.8)
〈I/σ(I)〉	16.8 (7.1)	36.1 (12.9)
Redundancy	6.4 (6.1)	11.9 (4.0)
Unique reflections	19, 783	16, 801
Total reflections	120, 720	216, 310
Figure of merit		0.31
Rcryst (%)	17.5
Rfree (%)	19.8

Values in parentheses are for the outermost resolution shell. $R_{\text{merge}}=\sum _h\sum _i|I_{h,i}-{〈I〉}_h|/\sum \left|{〈I〉}_h\right|$ calculated for the whole data set. $R_{\text{merge}}^{\text{ano}}=R_{\text{merge}}$ with Friedel-related reflections excluded. Figure of merit=$|\sum P(\mathrm{\alpha }){\text{e}}_{\text{i}\mathrm{\alpha }}/\sum P(\mathrm{\alpha })|$, where P(α) is the phase probability distribution and α is the phase. $R_{\text{cryst}}=\sum \left|\right|F_{\text{o}}|-|F_{\text{c}}\left|\right|/\sum \left|F_{\text{o}}\right|$. R_free was calculated as for R_cryst with 5% of the data omitted from the structural refinement.