Table 1.

X-ray diffraction data collection and atomic refinement

A. Crystal information
Data set	Native	NGT
Space group	C2	C2
Solvent content (%, v/v)	50.7	50.7
Matthew’s coefficienta	2.5	2.5
Molecules/asymmetric unitb	4 (4044)	4 (3933)
Residues/asymmetric unit
B. Data collection
Unit cell dimensions
a (Å)	321.1	322.2
b (Å)	110.5	109.8
c (Å)	129.7	132.8
β (deg.)	90.9	91.5
Wavelength (Å)	1.1158	1.1271
Resolution range (Å)	40.00 – 2.80	35.0 – 3.25
High-resolution (Å)	2.90 – 2.80	3.37 – 3.25
Total observations	406,584	144,007
Unique reflections	111,512	71,535
〈I/σI〉c,d	9.7 (2.0)	8.7 (1.9)
Completeness (%)e	99.4 (99.7)	97.8 (97.4)
B-value, Wilson plot (Å2)	75	92
Multiplicity	3.6	2.0
Rmergee	0.089 (0.750)	0.065 (0.475)
C. Refinement
Rworkf	0.26	0.27
Rfreeg	0.28	0.32
Number of atoms	32,139	32,007
Water	151	11
r.m.s.d from ideal
Bond lengths (Å)	0.006	0.009
Bond angles (deg.)	0.818	1.09
Ramachandran plot
Most favored (%)h	2903 (86.0)	2884 (85.5)
Allowed (%)	461 (13.7)	481 (14.3)
Generously allowed (%)	13 (0.4)	10 (0.3)
Disallowed (%)	0	0

^aV_M, ų/Da.

^bZ, the number of molecules in the unit cell.

^cStatistics for the highest resolution shell are in parentheses.

^d〈I/σI〉 is the ratio between the mean intensity and the mean error of the intensity.

^eR_merge Σ_hkl Σ|I_j(hkl)−〈I(hkl)〉|Σ_hklΣ_j j〈I(hkl)〉, with I_j(hkl) representing the intensity of measurement j and 〈I(hkl)〉 is the mean of measurements for the reflection hkl. Although the R_merge in the outer shell is high, the appropriate resolution limits were deduced from the Wilson plot.

^fR_work = Σ_hkl ||F_obs(hkl)|−F_calc(hkl)||/Σ_hkl |F_obs(hkl)|, where F_obs and F_calc are the observed and calculated structure factors, respectively.

^gR_free is calculated in the same manner on 5% of structure factors that were not used in the model refinement.

^hNumbers in parentheses represent the percentage of residues in each area of the Ramachandran plot.