Table 1. Data-collection statistics for rATX crystals.
Values in parentheses are for the highest resolution shell.
Crystal data | |
No. of crystals | 1 |
Beamline | APS 23-ID-D |
Detector | MAR Mosaic 300 |
Total rotation/rotation per frame (°) | 460/1 |
Space group | P1 |
Unit-cell parameters (Å, °) | a = 53.8, b = 63.3, c = 70.5, α = 98.8, β = 106.2, γ = 99.8 |
Data collection | |
Wavelength (Å) | 1.28299 |
Mosaicity (°) | 0.4 |
Resolution (Å) | 20.0–2.05 (2.12–2.05) |
Total No. of reflections† | 511856 |
No. of unique data | 52153 |
Multiplicity | 4.8 (3.0) |
Data completeness (%) | 96.8 (93.9) |
Average I/σ(I) | 13.9 (2.49) |
Rmerge‡ | 0.097 (0.378) |
Molecules per asymmetric unit | 1 |
Matthews coefficient (Å3 Da−1) | 2.3 |
Solvent content (%) | 47 |
This value includes measurements of partial reflections.
R
merge =
.