Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-11-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.210, 34.747, 61.586 |
| Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
| Resolution | 48.620 - 1.800 |
| R-factor | 0.19542 |
| Rwork | 0.192 |
| R-free | 0.25981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xyf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.423 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.098 | 0.308 |
| Number of reflections | 23141 | |
| <I/σ(I)> | 36.1 | 8.6 |
| Completeness [%] | 94.0 | 94 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | sodium chloride, dipotassium hydrogen phosphate, sodium dihydrogen phosphate, imidazole, cadmium chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
