Table 1. Experimental parameters and diffraction statistics for biphenyl 2,3-dioxygenase from B. xenovorans LB400 and its variants (BPDOP4 and BPDORR41).
Values in parentheses are for the highest resolution shell.
| P1 type | P21 type | |
|---|---|---|
| Temperature (K) | 100 | 100 |
| Crystal dimensions (µm) | 300 × 30 × 20 | 250 × 100 × 40 |
| Wavelength (Å) | 1.000 | 0.9000 |
| Beam | 0.13 × 0.34 mm | SER-CAT 22-ID |
| Detector | ADSC Quantum 315 | MAR CCD |
| α3β3 hexamers per cell | 4 | 4 |
| VM (Å3 Da−1) | 2.41 | 2.27 |
| Solvent content (%) | 50.0 | 46.0 |
| Resolution (Å) | 50.0–2.4 (2.5–2.4) | 50.0–2.2 (2.3–2.2) |
| No. of reflections | 802465 | 530411 |
| No. of unique reflections | 294357 | 147337 |
| Completeness (%) | 95.0 (86.0) | 90.0 (64.0) |
| 〈I/σ(I)〉 | 9.8 (2.0) | 9.7 (2.0) |
| Redundancy | 3.8 (2.4) | 4.5 (2.7) |
| Rmerge† (%) | 9.0 (29.0) | 8.0 (26.4) |
†
R
merge = 
, where I
i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.