. 2005 Dec 16;62(Pt 1):6–9. doi: 10.1107/S1744309105038248

Table 2. Data-collection and model refinement statistics.

Data for the highest resolution shell are given in parentheses.

Data-collection statistics
Molecular weight (Da)	30664
Temperature (K)	100
Wavelength (Å)	1.005
Space group	P2₁
Unit-cell parameters (Å, °)	a = 42.1, b = 41.0, c = 72.0, β = 104.4
Resolution (Å)	20.0–1.50 (1.55–1.50)
No. of unique reflections	37372 (3689)
Completeness (%)	97.0 (96.8)
Redundancy	3.0 (2.3)
I/σ(I)	28.0 (6.4)
R_merge^†	0.09 (0.17)
Refinement statistics
No. of protein atoms/solvent atoms	2058/222
R_cryst/R_free^‡	0.195/0.206
R.m.s.d. bond lengths (Å)	0.005
R.m.s.d. bond angles (°)	1.396
Average B factors (Å²)
Main chain	10.5
Side chain	12.9
Solvent	23.3
Zn atom	4.9
Ramachandran statistics
Most favoured (%)	87.6
Additionally and generously allowed (%)	12.4

^†

R _merge = Inline graphic , where I is the intensity of a reflection and 〈I〉 is the average intensity.

^‡

R _cryst = Inline graphic ; R _free is calculated from 5.0% of data for cross-validation.