Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-12-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.177, 85.712, 38.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.18424 |
| Rwork | 0.183 |
| R-free | 0.20858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vap |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.278 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.445 | |
| Number of reflections | 32661 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | 12% PEG8000, 0.1 M sodium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K, temperature 287.0K |
