Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.302, 115.848, 171.904 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 2.100 |
| Rwork | 0.205 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fhx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK (9.2SSI) |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.680 | 37.680 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.032 | 0.014 | 0.241 |
| Total number of observations | 18143 | 16065 | |
| Number of reflections | 52989 | ||
| <I/σ(I)> | 18.5 | 64.7 | 4.1 |
| Completeness [%] | 98.1 | 90.1 | 98 |
| Redundancy | 2.97 | 2.62 | 2.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 48-50% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
