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 | 2010-05-26 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.580, 78.083, 70.252 |
| Unit cell angles | 90.00, 92.16, 90.00 |
Refinement procedure
| Resolution | 43.250 - 2.560 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k5k |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.600 |
| High resolution limit [Å] | 2.560 | 6.940 | 2.560 |
| Rmerge | 0.099 | 0.034 | 0.657 |
| Number of reflections | 20157 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.8 | 97.2 | 100 |
| Redundancy | 3.7 | 3.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 0.2M SODIUM FORMATE, 10% ETHYLENE GLYCOL, 25% PEG-3350, 0.1M BIS-TRIS PROPANE, pH 6.5, vapor diffusion, temperature 291K |
