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 | 2016-06-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 36.709, 117.491, 201.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.810 - 2.550 |
| R-factor | 0.19028 |
| Rwork | 0.186 |
| R-free | 0.26316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zxp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.448 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.810 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.061 | 0.206 |
| Number of reflections | 14447 | |
| <I/σ(I)> | 26.96 | |
| Completeness [%] | 97.3 | |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1M sodium citrate, 0.2M ammonium acetate, 20% polyethylene glycol 4000 |
