Table 1 Data collection and refinement.

Statistics for the highest-resolution shell are shown in parentheses.

PDB IDYeeE (WT)YeeE (C91A)SeMet YeeE
6LEO6LEP
Data collection
X-ray sourceSPring-8
BL32XU
SPring-8
BL32XU
SPring-8
BL32XU
Wavelength (Å)1.441.000.979
Space groupC2221C2221C2221
a, b, and c (Å)73.51, 95.32,
and 101.4
73.91, 94.61,
and 101.5
73.60, 95.68,
and 101.5
Resolution range
(Å)
43.1–2.52
(2.61–2.52)
42.9–2.60
(2.69–2.60)
43.3–2.80
(2.90–2.80)
No. of merged
datasets
515 × (10°,
Δφ = 0.100)
93 × (10°,
Δφ = 0.100)
326 × (7°,
Δφ = 0.100)
Total reflections2,037,612
(200,477)
301,559
(15,399)
673,420
(68,965)
Unique
reflections
12,366 (1224)10,299 (898)9,125 (901)
Multiplicity164.8 (163.8)29.3 (17.1)73.8 (76.5)
Completeness
(%)
99.85 (99.59)89.62 (76.73)99.84 (99.67)
I/σ(I)20.49 (2.31)10.15 (1.28)19.40 (5.31)
R-meas0.6336 (8.719)0.3629 (3.059)0.3533 (1.72)
R-pim0.04322
(0.6173)
0.05311
(0.6174)
0.03531
(0.1729)
CC1/20.994 (0.522)0.981 (0.213)0.997 (0.859)
Refinement
No. of reflections12,353 (1219)10,104 (841)
Rwork/Rfree0.202/0.2520.235/0.286
(0.259/0.34)(0.336/0.366)
No. of atoms2,7842,523
Protein2,5312,396
Ligand55
Monoolein225100
Solvent2322
RMS derivations
Bond length (Å)0.0020.002
Bond angles (°)0.490.56
Ramachandran
Favored97.5597.44
Allowed1.531.92
Outliers0.920.64
Average B factor36.5543.75
Protein35.5243.24
Ligand42.4893.02
Monoolein48.4353.48
Solvent32.1743.18