TABLE 1.
Data collection | |
---|---|
Space group | P212121 |
Unit cell (Å) | a = 49.75, b = 85.89, c = 119.94 |
Resolution range (Å) | 50–2.5 (2.54–2.50)a |
Rmergeb | 0.090 (0.157)a |
I/σI | 19.4 (13.6)a |
Completeness (%) | 99.9 (99.3)a |
Redundancy | 7.4 (6.8)a |
Phasing FOMc | 0.37 (0.39)a |
Refinement | |
No. of reflections | 33,692 |
Rwork/Rfree | 0.213/0.261 |
No. of atoms | |
Residues | 200 (24–223) for chain A, 198 (24–220) for chain B |
Water | 175 |
B-factors (Å2) | |
Wilson | 27.1 |
Main chain | 25.2 |
Side chain | 28.8 |
Water | 30.2 |
Geometry (r.m.s.d.)c | |
Bond lengths (Å) | 0.007 |
Bond angles | 1.3° |
a Highest resolution range for compiling statistics.
b Rmerge = ΣΣi|Ii − 〈I〉|/ΣΣiIi.
c r.m.s.d., root mean square deviation; FOM, figure of merit.