Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.464, 106.712, 92.513 |
| Unit cell angles | 90.00, 112.83, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.080 |
| R-factor | 0.22715 |
| Rwork | 0.225 |
| R-free | 0.26716 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.246 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Number of reflections | 77311 | |
| <I/σ(I)> | 16.4 | 1.18 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG 3350, 0.2 M Ammoniuim Formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG 3350, 0.2 M Ammoniuim Formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG 3350, 0.2 M Ammoniuim Formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
