(b).

Refinement statistics.

Wavelength	0.95370
Resolution (Å)	36.1–2.2 (2.42–2.20)
Completeness (%)	97.6 (91.0)
Reflections (working)	12586
Reflections (test)	620
Rwork‡ (%)	15.7 (16.7)
Rfree‡ (%)	22.8 (27.7)
No. of waters	81
R.m.s. deviation from ideal geometry
Bonds (Å)	0.017
Angles (°)	1.31
Average B factors§ (Å2)
Main chain	38.9
Side chain	38.1
Waters	50.2
MOLPROBITY results
Overall clashscore	4.89 [98th percentile]
Ramachandran favored	203 [98.1%]
Ramachandran outliers	1 [0.5%]

^† R _merge = , where I _i(hkl) is the intensity of the ith observation and 〈I(hkl)〉 is the mean intensity of the reflections. The values are for unmerged Friedel pairs.

^‡ R _work = ; R _free is the same but for reflections belonging to a test set of randomly selected data.

^§ B factors were refined using the TLS approximation (see §2).