Table 1.
Data collection and structure refinement statistics of RpBphP2-PCM crystals.
| Crystal | RpBphP2-Ctag | RpBphP2-Ntag (native) | RpBphP2-Ntag (SeMet) |
|---|---|---|---|
| Resolution (Å) | 50–3.4 (3.49–3.40)/50–4.4* | 50–3.25 (3.3–3.25) | 50–3.5 (3.56–3.5) |
| Completeness (%) | 66 (11.5)/97.7* | 99.5 (99.8) | 94 (60) |
| Rmerge | 0.041(0.21)/0.035* | 0.030 (0.39) | 0.07 (0.34) |
| Redundancy | 4.5 (1.2)/5.5* | 10.0 (9.3) | 9.5 (5.5) |
| I/σI | 14.8 (1.9)/21.9* | 25.5(1.6) | 25.7 (2.75) |
| Space group | P61 | P61 | P61 |
| Cell parameters (Å) | a=b=176.79; c=95.91 | a=b=172.15 c=95.22 |
a=b=174.62 c=95.72 |
| beamline | APS 21-IDG | APS 14-BMC | APS 19-ID |
| Refinement | |||
| R-factor | 0.236 (0.32) | 0.25 (0.34) | |
| Free R-factor | 0.292 (0.37) | 0.31 (0.38) | |
| Resolution (Å) | 20–3.4 (3.66–3.40) | 20–3.25 (3.37–3.25) | |
| Geometry | |||
| r.m.s.d bond length(Å) | 0.012 | 0.017 | |
| r.m.s.d. bond angle(°) | 2.36 | 2.32 | |
| Structure | |||
| Protein | Chain A, B | Chain A, B | |
| Ligand/water | 2 BV/18 waters | 2 BV/0 waters | |
| Ramachandran stats | |||
| Favored | 93% | 90.7% | |
| Allowed/Disallowed | 6.6%/0.4% | 8.5%/0.8% | |
| PDB ID | 4R6L | 4S21 |
*
Data collection statistics are reported in two different resolution ranges to reflect the anisotropic nature of the dataset.