Table I.
Crystallographic data and refinement statistics
| CD45 D1D2 C828S and phosphopeptide complexes
|
||
|---|---|---|
| Polyoma middle T antigen | CD3 ζITAM-1 | |
| Crystallographic data | ||
| Space group | P2(1) | P2(1) |
| Cell parameters | a = 86.9 Å, b = 57.9 Å, c = 159.3 Å, β = 98.78 |
a = 86.0 Å, b 5 59.7 Å, c = 160.5 Å, β 5 99.58 |
| Z | 4 | 4 |
| X-ray source | X12, BNL | X12, BNL |
| Resolution | 30–2.9 Å | 30–2.9 Å |
| Observations (n) | 99,669 | 99,514 |
| Unique reflections (complete) | 32,025 (93.0%) | 29,466 (81.5%) |
| Rsym a | 0.079 | 0.071 |
| Refinement statistics of current model | ||
| Resolution | 30–2.9 Å | 30–2.9 Å |
| Protein atoms (n) | 9,457 | 9,416 |
| Substrate atoms (n) | 74 | 122 |
| Rcryst (workb/freec) | 0.263/0.306 | 0.258/0.315 |
| Rmsd bond lengths | 0.010 Å | 0.010 Å |
| Rmsd bond angles | 1.59° | 1.57° |
a
Rsym = Σh Σi|Iih − <Ih>|/Σh Σ i<Ih>, where <Ih> is the mean of the observations Iih of reflection h.
b
Rworking = Σ||Fobs| − |Fcalc||/Σ|Fobs|.
c
Rfree = R factor for a selected subset (5%) of the reflections that was not included in prior refinement calculations.