Table 1.

Data collection and refinement statistics

Data collection
Temperature, K		100
Space group		P21
Unit cell		178.3  Å	96.1  Å	214  Å	β = 94.0°
Molecules per asymmetric unit		2
Unique reflections (redundancy)		79,465 (4.42)

Low-resolution limit, Å	106	106	10.7	4.4	3.6
High-resolution limit, Å	3.4	10.7	7.6	4.0	3.4
Completeness*, %	78.5	99.2	100	79.1	46.7
I/σI	7.1	15.2	12.4	5.0	2.6
Rsym,† %	7.5	3.9	4.7	13.0	28.0

Model refinement at 10.0–3.5 Å
Sigma cutoff	None
Rfactor%,‡Rfree%§	26.3, 37.0
rms bond length, Å; angles °	0.012, 1.83
rms dihedrals, °; improper, °	28.1, 1.08

^*Data are anisotropic, see Methods. 

^† R_sym = Σ_hkl Σ_i | I_i-〈I〉| / Σ_hkl Σ_iI, where 〈I〉 is the mean intensity of reflection hkl. 

^‡ R_factor=Σ_hkl | | F_obs |-| F_calc | | / Σ_hkl | F_obs |, where F_calc and F_obs are, respectively, the calculated and observed structure factor amplitudes for reflection hkl. 

^§ R_free is the same as R_factor but calculated over the 5% randomly selected fraction of the reflection data not included in the refinement.