Table 2.
Data collection and refinement statistics
| Apo | ImI | MLA | LOB | EPI | |
|---|---|---|---|---|---|
| Data collection | |||||
| Beamline | APS/19-ID | ALS/8.2.1 | ESRF/ID29 | ALS/8.2.1 | ESRF/ID14-EH3 |
| Wavelength (Å) | 0.97934 | 0.97623 | 0.97563 | 0.97623 | 0.931 |
| Space group | C2221 | I222 | P21 | P1 | I23 |
| a, b, c (Å) | 144.1, 146.8, 143.3 | 130.3, 140.0, 153.4 | 67.3, 126.8, 147.3 | 75.8, 85.7, 117.3 | 200.9, 200.9, 200.9 |
| α/β/γ (°) | −/99.5/− | 89.9/97.3/106.6 | |||
| Pentamer/asymmetric unit | 1 | 1 | 2 | 2 | 1 |
| Resolution rangea | 50–2.02 (2.09–2.02) | 50–2.07 (2.14–2.07) | 72–2.45 (2.51–2.45) | 58.3–2.05 (2.16–2.05) | 30–3.4 (3.49–3.4) |
| Rmerge (%)a,b | 5.8 (47.4) | 8.5 (54.8) | 7.9 (48.4) | 6.2 (26.5) | 19.8 (59.4) |
| Observations | 603 776 | 433 003 | 356 687 | 333 038 | 64 112 |
| Unique reflections | 97 846 | 86 601 | 95 739 | 168 545 | 18 257 |
| Completeness (%)a | 98.5 (90.5) | 99.9 (99.8) | 100.0 (100.0) | 95.8 (95.4) | 97.6 (97.6) |
| Redundancya | 6.2 (5.7) | 5.1 (3.8) | 3.7 (3.8) | 2.0 (2.0) | 3.5 (3.5) |
| 〈I/σI〉a | 13.6 (3.8) | 29.5 (2.2) | 11.3 (2.5) | 13.9 (2.5) | 8.3 (2.0) |
| B-factor from Wilson plot (Å2) | 32.4 | 33.5 | 45.4 | 25.6 | 42.3 |
| Refinement | |||||
| Resolution range (Å) | 40–2.02 (2.07–2.02) | 20–2.07 (2.12–2.07) | 20–2.45 (2.51–2.45) | 48–2.05 (2.1–2.05) | 30–3.4 (3.49–3.4) |
| Protein atoms | 8515 | 8411 | 16762 | 16324 | 8521 |
| Solvent/ligand atoms | 882/82 | 1043/469 | 560/490 | 1561/250 | −/70 |
| Rcryst (%)/Rfree (%) | 16.8 (20.8)/20.2 (25.2) | 17.3 (23.1)/21.4 (28.2) | 19.3 (27.7)/23.2 (33.8) | 21.6 (30.8)/25.8 (33.7) | 18.3 (24.9)/25.4 (33.1) |
| Free reflections | 2980 | 1700 | 1916 | 5025 | 929 |
| R.m.s. 1–2 bond distances (Å) | 0.013 | 0.013 | 0.008 | 0.008 | 0.01 |
| R.m.s. 1–3 bond angles (deg) | 1.41 | 1.42 | 1.37 | 1.16 | 1.5 |
| Mean main/side chain B (Å2) | 39.3/41.9 | 39.29/41.03 | 45.3/46.4 | 39.6/40.6 | 45.4/46.6 |
| Mean B solvent/ligand (Å2) | 43.8/62.6 | 43.56/35.26 | 36.8/40.4 | 36.6/31.9 | −/38.58 |
| Main/side chain ΔB for bonded atoms (Å2) | 0.99/1.66 | 1.03/1.60 | 1.14/1.14 | 0.89/1.08 | 1.11/1.35 |
| PDB accession code |
2BYN |
2BYP |
2BYR |
2BYS |
2BYQ |
| aValues in parentheses are for the highest resolution shell. | |||||
| bRmerge=∑hkl∑i∣Ihkli−〈Ihkli〉∣/∑hkl∑i〈Ihkli〉; Rcryst=∑∣∣Fo∣−∣Fc∣∣/∑∣Fo. | |||||