Table 1. Statistics for selected Laue data sets at selected temperatures (for all temperatures, see Supplementary Material).
T set is the temperature set by the temperature controller of the cryogenic gas jet. T c is the actual temperature measured by the calibrated diode at the crystal site. The time delays shown are the delays between the peak of the laser pulse to the rising edge of the X-ray pulse. The completeness of the Laue data was calculated including singlet and deconvoluted harmonic reflections. R merge is calculated from singlet intensities using multiple measurements and symmetry equivalents. Both completeness and R merge are given for the dark data set (the statistics are comparable for light data sets). Values in parentheses are for the last resolution shell (1.9–1.8 Å). R scale is calculated from amplitudes (F) after scaling the time-resolved structure-factor amplitudes F Δt to calculated dark F D amplitudes (on the absolute scale). Δρmin/σΔρ and Δρmax/σΔρ are the most negative and most positive difference electron-density features in units of the σ level found in the difference map at a selected time point (Δt). The largest features can be found at and near the S atom of Cys69.
| T set (K) | T c (K) | Time points | Completeness (%) | I/σ(I) | R merge † (%) | R scale, Δt ‡ (%) | Δρmin/σΔρ and Δρmax/σΔρ, Δt |
|---|---|---|---|---|---|---|---|
| 233 | 235.5 | 31, 2 ns–15 s | 82.5 (75.9) | 16.9 (11.0) | 8.3 | 7.7, 3 µs | −6/+10, 3 µs |
| 263 | 259.5 | 29, 2 ns–8 s | 88.0 (82.3) | 23.0 (18.5) | 6.8 | 6.9, 4 µs | −7/+9, 4 µs |
| 283 | 283.6 | 27, 2 ns–128 ms | 82.2 (77.8) | 30.3 (26.9) | 5.2 | 3.9, 4 µs | −10/+11, 4 µs |
| 303 | 298.5 | 27, 2 ns–128 ms | 83.5 (75.9) | 25.3 (16.1) | 5.6 | 6.8, 4 µs | −11/+10, 4 µs |
| 343 | 338.8 | 21, 100 ns–1 s | 84.6 (80.3) | 30.6 (21.7) | 4.7 | 4.4, 800 ns | −6/+6, 800 ns |
R
merge = 
.
R
scale = 
.