Values in parentheses are for the highest resolution shell.
| Lysozyme | Proteinase K | ||||||
|---|---|---|---|---|---|---|---|
| Chip 1 | Chip 2 | Chip 3 | Chip 4 | Chip 1 | Chip 2 | Chip 3 | |
| PDB code | — | — | 7nkf | 7njf | — | — | 7njj |
| Crystal centering | — | — | — | Yes | — | — | — |
| Normalized protein used (µg) | 138.9 | 263.3 | 325.0 | 325.0 | 243.0 | 243.0 | 240.7 |
| Collected features | 10944 | 20736 | 25600 | 25600 | 20736 | 20736 | 20543 |
| Indexed features | 2938 | 3707 | 7498 | 14840 | 4574 | 2221 | 7618 |
| Indexed diffraction patterns | 2991 | 3973 | 8611 | 20911 | 5294 | 2502 | 10489 |
| Indexing rate† (%) | 27 | 19 | 34 | 82 | 26 | 12 | 51 |
| Indexed patterns per microgram of protein | 22 | 15 | 26 | 64 | 22 | 10 | 44 |
| Space group | P43212 | P43212 | P43212 | P43212 | P43212 | P43212 | P43212 |
| a, b, c (Å) | 78.6, 78.6, 38.6 | 78.5, 78.5, 38.8 | 78.8, 78.8, 38.7 | 78.5, 78.5, 38.8 | 68.3, 68.3, 108.2 | 68.5, 68.5, 108.6 | 68.5, 68.5, 108.7 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 78.74–1.70 (1.76–1.70) | 78.74–1.70 (1.76–1.70) | 55.87–1.70 (1.76–1.70) | 55.56–1.70 (1.76–1.70) | 108.70–1.65 (1.71–1.65) | 108.70–1.65 (1.71–1.65) | 68.49–1.65 (1.71–1.65) |
| CC* (%) | 98.3 (93.3) | 98.7 (91.0) | 98.8 (97.2) | 99.6 (98.2) | 95.0 (88.0) | 85.8 (74.2) | 97.3 (76.3) |
| R split (%) | 19.69 (46.63) | 17.67 (55.87) | 16.55 (22.52) | 10.0 (21.5) | 33.23 (48.24) | 57.24 (81.11) | 26.03 (67.77) |
| 〈I/σ(I)〉 | 5.1 (2.1) | 5.2 (1.8) | 6.8 (4.7) | 10.1 (4.6) | 3.7 (2.4) | 2.4 (1.5) | 3.9 (1.7) |
| Multiplicity | 68 (40) | 81 (48) | 174 (105) | 408 (248) | 37 (20) | 17 (9) | 72 (39) |
| Completeness (%) | 100.00 (100.00) | 100.00 (100.00) | 100.00 (100.00) | 100.00 (100.00) | 99.98 (99.97) | 99.82 (99.23) | 100.00 (100.00) |
| Resolution range for refinement (Å) | 55.72–1.70 (1.83–1.70) | 55.51–1.70 (1.76–1.70) | 57.95–1.65 (1.71–1.65) | ||||
| No. of reflections | 13920 (1358) | 13833 (1356) | 31851 (3100) | ||||
| R work (%) | 17.50 (19.64) | 17.40 (21.30) | 17.79 (25.34) | ||||
| R free (%) | 21.18 (22.33) | 20.28 (27.94) | 20.33 (28.75) | ||||
| Mean B factor (Å2) | 22.49 | 24.6 | 15.29 | ||||
| No. of non-H atoms | |||||||
| Protein | 1023 | 1013 | 2031 | ||||
| Ligands/ions | 1 | 1 | 4 | ||||
| Water | 74 | 69 | 209 | ||||
| R.m.s. deviations | |||||||
| Bond lengths (Å) | 0.013 | 0.006 | 0.006 | ||||
| Bond angles (°) | 1.26 | 0.93 | 0.77 | ||||
| Ramachandran statistics | |||||||
| Favored (%) | 99.21 | 98.41 | 97.11 | ||||
| Allowed (%) | 0.79 | 1.59 | 2.89 | ||||
| Outliers (%) | 0.00 | 0.00 | 0.00 | ||||