Table 2.
Data collection and refinement statistics for the A(H3N2) HA crystal structures.
| Hong Kong/1/1968 (HK68) |
Port Chalmers/1/1973 (PtChalmers73) |
Perth/16/2009 (Perth09) HA1 domain |
Christchurch/28/ 2011 (Chrishchurch11) |
Victoria/361/2011 (Victoria11) | |||
|---|---|---|---|---|---|---|---|
| Apo | 3′SLN | 6′SLN | |||||
| Experimental | |||||||
| Protein Conc. (mg/ml) | 14 | 13 | 15 | 19 | 18 | ||
| Crystallization conditions | 0.1M Tris-HCl, pH7.9, 25% PEG 1000 | 0.1M HEPES, pH7.5, 25% PEG 550 MME | 0.1M Magnesium Chloride, 0.1M Tris-HCl, pH8.5, 25% PEG 3350 | 0.2M Calcium acetate, 0.1M MES, pH6, 20% PEG 8000 | 0.1M CAPS:NaOH, pH10.5, 30% (v/v) PEG 400 | ||
| Cryoprotectant | None | None | 20% glycerol | 20% Ethylene glycerol | None | ||
| Data collection | |||||||
| Beamline collected | APS, BM | SSRL, 9-2 | APS, 22-ID | APS, 22-ID | APS, 22-ID | ||
| Space group | I213 | I213 | P121 | P1211 | R32 | R32 | R32 |
| Cell dimensions (Å) | 155.51 Å, 155.51 Å, 155.51 Å | 153.13 Å, 153.13 Å, 153.13 Å | 42.47 Å, 50.57 Å, 182.26 Å | 48.30 Å, 214.90 Å, 101.81 Å | 100.91 Å, 100.91 Å, 383.36 Å | 101.14 Å, 101.14 Å, 384.93 Å | 100.73 Å, 100.73 Å, 382.61 Å |
| Cell angle (°) | 90°, 90°, 90° | 90°, 90°, 90° | 90°, 90.1°, 90° | 90°, 103.6°, 90° | 90°, 90°, 120° | 90°, 90°, 120° | 90°, 90°, 120° |
| Resolution (Å) | 50-2.35 (2.43-2.35)a | 50-2.1 (2.16-2.1) | 50-1.9 (1.97-1.9) | 50-2.5 (2.59-2.5) | 50-2.1 (2.16-2.1) | 50-2.2 (2.26-2.2) | 50-2.2 (2.26-2.2) |
| Rsym (%) | 7.3 (34.0) | 7.5 (86.8) | 8.4 (34.5) | 8.7 (62.3) | 7.5 (37.0) | 7.8 (31.3) | 7.1 (35.5) |
| I/sigma | 40.0 (7.1) | 27.3 (2.16) | 12.8/3.6 | 28.1 (2.3) | 36.8 (5.2) | 37.1 (4.5) | 43.5 (5.0) |
| Completeness (%) | 98.1 (99.3) | 99.5 (98.0) | 98.2 (100) | 98.1 (95.4) | 98.5 (95.1) | 99.4 (96.7) | 99.6 (96.6) |
| Redundancy | 10.8 (9.8) | 4.9 (4.5) | 3.0 (3.0) | 3.4 (3.0) | 4.8 (4.6) | 5.1 (4.1) | 6.9 (5.5) |
| Refinement | |||||||
| Resolution (Å) | 30.5-2.35 (2.45-2.35) | 30-2.10 (2.16-2.10) | 44.2-1.9 (1.93-1.90) | 43-2.5 (2.53-2.5) | 34.2-2.10 (2.15-2.10) | 42.7-2.20 (2.25-2.20) | 35.0-2.2 (2.26-2.20) |
| No. reflections (total) | 25624 | 34697 | 56707 | 67875 | 43789 | 38827 | 38431 |
| No. reflections (test) | 1307 | 1743 | 3023 | 3431 | 2218 | 1954 | 1922 |
| Rwork/ Rfree | 19.3/23.6 | 18.2/23.1 | 22.1/19.6 | 21.8/25.1 | 19.0/22.7 | 19.4/22/.6 | 19.0/22.3 |
| No. of atoms | 4484 | 4384 | 4954 | 8827 | 4280 | 4195 | 4187 |
| r.m.s.d.- bond length (Å) | 0.005 | 0.007 | 0.002 | 0.009 | 0.005 | 0.004 | 0.006 |
| r.m.s.d.- bond angle (°) | 0.923 | 1.041 | 1.168 | 1.264 | 0.931 | 0.838 | 1.021 |
| MolProbityb scores | |||||||
| Favored (%) | 95.7 | 94.5 | 97.8 | 95.2 | 96.3 | 95.3 | 95.1 |
| Outliers (%) | 0.2 | 0.6 | 0 | 0.2 | 0 | 0.4 | 0.6 |
| PDB Code | 4WE4 | 4WE5 | 4WE6 | 4WE7 | 4WE8 | 4WE9 | 4WEA |
a
Numbers in parentheses refer to the highest resolution shell.
b
Reference (Davis et al., 2007).