Table 1.
Crystallographic data table and refinement statistics
| Beamline | APS 22-ID | APS 22-ID |
| Crystal | Dlar(Ig1-2) | LAR(Ig1-2) |
| Wavelength (Å) | 0.97242 | 0.97242 |
| Number of unique reflections | 39,287 | 15,225 |
| Resolution (Å) | 50 – 2.3 | 50 – 2.0 |
| Space group | P21 | P3221 |
| Unit cell | ||
| a, b, c (Å) | 72.96, 77.51, 81.73 | 77.45, 77.45, 68.50 |
| α, β, γ (°) | 90.00, 101.08, 90.00 | 90.00, 90.00, 120.00 |
| Rsyma | 0.117 (0.415) | 0.069 (0.364) |
| Completeness (%) | 98.7 (98.2) | 92.6 (65.4) |
| Redundancy | 2.7 (2.0) | 15.4 (8.7) |
| I/σI | 5.7 (1.9) | 28.2 (3.6) |
| Refinement | ||
| RCSB accession number | 3PXJ | 3PXH |
| Molecules in asymmetric unit | 4 | 1 |
| Resolution (Å) | 41.4 – 2.3 | 33.5 – 2.0 |
| Reflections | 37,084 | 14,492 |
| Rwork c / Rfree | 0.223 / 0.261 | 0.220 / 0.240 |
| Number of protein atoms | 5,965 | 1,494 |
| Number of water atoms | 138 | 85 |
| r.m.s. deviation from ideal bonds (Å) | 0.032 | 0.030 |
| r.m.s. deviation from ideal angles (°) | 1.66 | 1.67 |
| Average B factors (Å2) | 58.2 | 53.4 |
| Protein | 58.4 | 53.6 |
| Water | 51.2 | 49.0 |
| Sulfate | - | 69.6 |
| Ramachandran statistics | ||
| Favored (%) | 97.9 | 99.5 |
| Allowed (%) | 2.0 | 0.5 |
| Outlier (%) | 0.1 | - |
Ramachandran statistics were calculated using RAMPAGE 37 as implemented in CCP4.
a
Rsym = Σh Σi|Ii(h) - <I(h)>| / Σh Σi Ii(h), where Ii(h) is the ith measurement of reflection h and <I(h)> is a weighted mean of all measurements of h.
b
Values in parentheses apply to the high-resolution shell.
c
R = Σh|Fobs(h) – Fcalc(h)| / Σh|Fobs|. Rwork and Rfree were calculated from the working and test reflection sets, respectively. The test set constituted 5% of the total reflections not used in refinement.