Table 1.

Data Collection and Refinement Statistics for Atu3266

beamline	NSLS beamline X12C
Data Set - Unit Cell Parameters
a(Å)			90.65
b(Å)			139.2
c(Å)			206.13
α = β = γ = 90°
space group	P212121
Data Collection Statistics
	Peak	Inflection	Remote
wavelength (Å)	0.9793	0.9798	0.94
resolution range (Å)	50-2.6	50-2.8	50-2.8
redundancy	5.8	5.5	5.2
Mean I/σ(I)	14.5	13.2	12.8
Rmergea	0.121	0.125	0.118
no. of unique reflections	139906	138603	138965
Phasing Statistics
phasing powerb (ano)			0.21/0.28
FOMc: (centric/acentric)			0.85
Refinement Statistics
resolution range (Å)			2.62–39.7
no. of reflections (work)			139800
no. of reflections (test)			4173
no. of protein atoms			16450
no. of heterogen atoms			22
no. of solvent atoms			113
Rfactord/Rfree			0.256/0.302
rmsd bond length (Å)			0.016
rmsd bond angles (°)			1.6
<B-values> (Å2)			58.3
PDB entry code			2OGJ

R_merge = Σ_j | I_h − 〈I_h〉/ΣI_h where 〈I_h〉 is the average intensity over symmetry equivalents.

^bAs defined in SHARP.

^cFOM = figure of merit as defined by SHARP.

^dR_factor = Σ | F_obs−F_calc|/Σ|F_obs|; R_free same as R_factor but for test set.