Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K

BMC Chemistry

Table 1 Data-collection and final refinement statistics

	Insugen (I) (Biocon)	Intergen (II) (Intergen)
Space group	H3	H3
Unit-cell parameters	a = b = 81.8270 Å	a = b = 81.120 Å
	c = 33.8490 Å	c = 33.930 Å
	α = β = 90°	α = β = 90°
	γ = 120°	γ = 120°
V_M (Å³ Da⁻¹)	1.97	1.94
Solvent content (%)	22 (223 waters)	25 (275 waters)
Resolution range (Å)	0.92–13.64	0.92–20.0
No. of measurements	294,902
No. of unique reflections	50,178	54,114
Completeness (%)	100	98.59
Multiplicity	5.0 (4.1)	4.2
R ^a_merge	0.028	0.05579
I/σ(I)_mean	20.2 (4.0)
R factor	0.1112	0.162
R_free	0.1446	0.180
Residues in allowed regions of Ramachandran plot (%)	97.53	96.81
R.m.s.d. bonds (Å)	0.017	0.006
R.m.s.d. angles (°)	2.65	1.187
All-atom B_average (Å²)	17.947	14.737

Values in parentheses are for the highest resolution shell
^a \({\text{R}}_{\text{merge}} = \sum_{\text{hkl}} \sum_{\text{i}} \left| {{\text{I}}_{\text{i}} ({\text{hkl}}) - \langle {\text{I}}({\text{hkl}})\rangle } \right|/\sum_{\text{hkl}} \sum_{\text{i}} \left| {{\text{I}}_{\text{i}} ({\text{hkl}})} \right|\) where I_i(hkl) and 〈I(hkl)〉 are the observed intensity and mean intensity of related reflections respectively

ISSN: 2661-801X