Table I.
Summary of crystallographic data
| Crystal | ZU5A-ZU5B Native 1 | ZU5A-ZU5B SeMet | ZU5A-ZU5B Native 2 |
|---|---|---|---|
| Space group | C2 | C2 | C2 |
| Unit cell | a= 277.8Å b= 40.5 Å c= 94.7 Å α=γ= 90° β= 92.3Å |
a= 279.5 Å b= 40.9 Å c= 95.3 Å α=γ= 90Å β= 92.0Å |
a= 160.1 Å b= 40.5 Å c= 178.1 Å α=γ= 90Å β= 112.7° |
| Data Collection | |||
| Detector type/source | MarCCD/APS | MarCCD/APS | MarCCD/APS |
| Wavelength (Å) | 0.97872 | 0.97626 | 0.97872 |
| Resolution* | 36.94–2.60 (2.72–2.60) | 38.70–2.20 (2.30–2.20) | 29.60–2.00 (2.09–2.00) |
| Measured reflections | 91617(11302) | 226787 (27584) | 360576 (38385) |
| Unique reflections | 32774 (4022) | 55529 (6721) | 71819 (8411) |
| Completeness (%) | 99.0 (99.8) | 99.9 (100.0) | 99.3 (96.0) |
| Anomalous completeness (%) | - | 97.8 (99.2) | - |
| Multiplicity | 2.8 (2.8) | 4.1 (4.1) | 5.0 (4.6) |
| Anomalous multiplicity | - | 2.1 (2.1) | - |
| Rmeas+ | 0.057 (0.389) | 0.104 (0.591) | |
| Mean ((I/σ(I))§ | 18.3 (4.2) | 12.8 (3.0) | |
| Phasing † | |||
| Resolution | 37.06–2.20 | ||
| Phasing powerisomorphous (acentric/centric) | 0.835/0.733 | ||
| Phasing poweranomalous | 0.563 | ||
| Rcullis-isomorphous | 0.255/0.248 | ||
| Rcullis-anomalous | 0.931 | ||
| FOM (acentric/centric) | 0.256/0.108 | ||
| Refinement | |||
| Resolution | 24.90–2.21 (2.26–2.21) | 29.68–2.00 (2.05–2.00) | |
| No. of reflections working/test | 51531/3282 | 71813/4994 | |
| Rfactor (%) | 22.26 (27.1) | 17.31 (19.06) | |
| Rfree (%) | 25.88 (31.2) | 20.57 (20.02) | |
| Protein atoms | 7736 | 7825 | |
| Water molecules | 189 | 686 | |
| Ethanol molecules | 7 | 18 | |
| Bond lengths | 0.011 | 0.010 | |
| Bond angles | 1.311 | 1.05 |