Table 1. Data-collection and processing statistics for PksC.
Values in parentheses are for the highest resolution shell.
Data collection | |
X-ray source | I04, Diamond Light Source |
Wavelength (Å) | 0.9699 |
Temperature (K) | 100 |
Detector | ADSC Quantum 315r CCD |
Space group | P212121 |
Unit-cell parameters (Å) | a = 53.19, b = 70.43, c = 76.28 |
Resolution range (Å) | 37.09–1.44 (1.51–1.44) |
VM (Å3 Da−1) | 2.07 |
Solvent content (%) | 40.6 |
Monomers in asymmetric unit | 1 |
Data processing | |
No. of observed reflections | 354490 |
No. of unique reflections | 53023 |
Completeness (%) | 99.9 (99.9) |
Mosaicity (°) | 0.32 |
Multiplicity | 6.7 (6.7) |
Rmerge† (%) | 7.1 (30.6) |
Mean I/σ(I) | 16.6 (5.5) |
R
merge =
, where 〈I(hkl)〉 is the mean intensity of the reflection.