Table 4 SFX data collection and refinement statistics, Part II.
Parameter | Sample | |||
|---|---|---|---|---|
HEWL2+PEO | HEWL2+PEO | HEWL2+PEO | PSII+PEO3 | |
Liquid flow rates1 (µL/min) | 5+12.5 | 10+12.5 | 20+12.5 | 20+10 |
Helium flow rate (mg/min) | 20.9 | 23.5 | 29.8 | 19.9 |
No. of pulses/train | 352 | 352 | 352 | 202 |
No. of pulses/s | 3,520 | 3,520 | 3,520 | 2,020 |
Total no. frames | 3,140,046 | 3,140,748 | 3,141,450 | 1,321,776 |
No. of hits | 5,067 | 12,617 | 18,128 | 6,166 |
Hit rate (%) | 0.16 | 0.40 | 0.58 | 0.47 |
No. of crystals | 5,407 | 12,371 | 16,961 | 697 |
No. of indexed crystals | 3,745 | 8,501 | 11,664 | 689 |
Prop. of indexable hits (%) | 73.91 | 67.38 | 64.34 | 11.17 |
Total indexing rate (%) | 0.12 | 0.27 | 0.37 | 0.05 |
Data collection time (min)2 | 39.40 | 17.49 | 12.75 | 158.3 |
Unit cell lengths a,b,c (Å) | 78.57/78.58/37.99 | 78.57/78.57/37.98 | 78.59/78.58/37.97 | 129.45/227.22/305.27 |
Unit cell angles\(\alpha\),\(\beta\),\(\gamma\)(°) | 90.10/89.89/89.92 | 90.05/89.93/89.98 | 90.03/86.96/90.00 | 90.08/90.05/90.06 |
Resolution (Å) | 19.01-1.70 | 19.01-1.70 | 19.01-1.70 | 15.24-4.50 |
(1.76-1.70) | (1.76-1.70) | (1.76-1.70) | (4.66-4.50) | |
Signal-to-noise ratio | 3.97 (1.87) | 5.60 (2.63) | 5.96 (3.00) | 1.85 (1.51) |
Completeness (%) | 100.00 (100.00) | 100.00 (100.00) | 100.00 (100.00) | 83.58 (86.00) |
Redundancy | 63.22 (43.10) | 133.64 (90.70) | 159.96 (108.00) | 6.84 (6.00) |
Rsplit (%) | 25.62 (46.28) | 18.21 (31.69) | 17.60 (29.64) | 56.99 (79.30) |
CC1/2 (%) | 89.31 (75.52) | 94.11 (84.49) | 94.25 (86.39) | 60.47 (25.42) |
CC* (%) | 97.13 (91.69) | 98.51 (95.71) | 98.51 (96.28) | 86.81 (63.67) |
