Table IV.
Crystallographic Statistics for the RT-RH, CA-p2, and p2-NC Substrate Complexes of Single-Chain WT and Pr3 Proteases
| Variable | PrWT-RTRHa | PrWT-p2NCb | PrWT-CAp2b | Pr3-RTRHc | Pr3-p2NCb |
|---|---|---|---|---|---|
| Resolution (Å) | 1.9 | 1.68 | 1.8 | 1.8 | 1.7 |
| Temperature (K) | 100 | 100 | 100 | 100 | 100 |
| Space group | p212121 | p212121 | p212121 | p212121 | p212121 |
| Unit cell parameters | |||||
| a (Å) | 51.2 | 51.0 | 51.0 | 51.1 | 51.08 |
| b (Å) | 58.7 | 58.8 | 58.9 | 59.3 | 59.2 |
| c (Å) | 61.8 | 61.8 | 61.5 | 62.1 | 61.9 |
| Z | 1 | 1 | 1 | 1 | 1 |
| Z′ | 4 | 4 | 4 | 4 | 4 |
| Rmerge (%) | 7.9 | 4.9 | 6.8 | 6.8 | 4.3 |
| Completeness (%) | 91.8 | 95.4 | 99.7 | 99.4 | 99.1 |
| Total reflections | 92118 | 152868 | 121051 | 110383 | 122038 |
| Unique reflections | 13957 | 21538 | 17300 | 18038 | 21064 |
| Redundancy (%) | 6.6 | 7.1 | 7.0 | 6.1 | 5.8 |
| I/σ | 12.2 | 14.5 | 13.5 | 14.8 | 16.2 |
| RMSD (Å) | |||||
| Bond length (Å) | .011 | .009 | .009 | .011 | .008 |
| Bond angles | 1.47 | 1.35 | 1.35 | 1.46 | 1.37 |
| Rfactor (%) | 20.61 | 19.8 | 18.9 | 19.9 | 22.0 |
| Rfree (%) | 26.06 | 22.7 | 22.7 | 25.2 | 26.9 |
| Waters | 116 | 69 | 62 | 76 | 70 |
a
Data collected in-house on Rigaku RAXIS IV.
a
Data collected by Annie Heroux (mail-in-crystal program @ BNL).
a
Data collected at 14-BMC, BioCARS @ Argonne Photon Source. Data deposition: The atomic coordinates and structure factors have been deposited in the Protein Data Bank, www.pdb.org (PDB ID codes 4EP2, 4EPJ, 4EP3,4EQJ and 4EQ0).