Table 1. Data-collection and processing statistics for YqjH.
Values in parentheses correspond to the highest resolution shell (3.16–3.00 Å). Data sets 1 and 2 refer to the PEG 550 MME and ethylene glycol cryoprotected data sets, respectively.
| Data set 1 | Data set 2 | |
|---|---|---|
| Synchrotron beamline, | ESRF ID23-EH1 | ESRF ID23-EH1 |
| Wavelength (Å) | 0.976 | 0.976 |
| Space group | P3121 | P3121 |
| Unit-cell parameters (Å) | a = 75.23, c = 84.43 | a = 80.72, c = 84.59 |
| Resolution range (Å) | 85.0–3.0 (3.16–3.0) | 85.0–3.0 (3.16–3.0) |
| Rmerge† | 11.7 (35.5) | 10.2 (41.3) |
| No. of observations | 19303 (2849) | 23119 (3427) |
| No. of unique reflections | 5825 (829) | 6696 (956) |
| Mean I/σ(I) | 10.4 (3.1) | 10.6 (3.1) |
| Completeness (%) | 99.8 (99.9) | 99.9 (100) |
| Multiplicity | 3.3 (3.4) | 3.5 (3.6) |
| Solvent content (%) | 42 | 49.5 |
| Molecules per ASU | 1 | 1 |
†
R
merge = 
, where the outer summation is over all unique reflections with multiple observations and the inner summation is over all observations of each reflection.