Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | NOIR-1 |
| Wavelength(s) | 1.239 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 88.087, 88.087, 88.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.970 - 2.250 |
| R-factor | 0.21193 |
| Rwork | 0.211 |
| R-free | 0.22144 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oan |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.810 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0091) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.970 | 2.290 |
| High resolution limit [Å] | 2.200 | 2.250 |
| Rmerge | 0.039 | 0.694 |
| Number of reflections | 10458 | |
| <I/σ(I)> | 17.7 | 1.92 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M IMIDAZOLE, 0.2M LITHIUM SULFATE, 30% PEG 3000, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
