Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.976, 44.094, 67.500 |
| Unit cell angles | 81.35, 89.84, 90.04 |
Refinement procedure
| Resolution | 9.930 - 2.350 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.940 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.440 |
| High resolution limit [Å] | 2.350 | 5.080 | 2.350 |
| Rmerge | 0.049 | 0.028 | 0.420 |
| Number of reflections | 17458 | ||
| Completeness [%] | 97.2 | 94.4 | 97.6 |
| Redundancy | 2 | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.04M Barium acetate, 0.05M sodium cacodylate, 18% 2-methyl-2,4-pentanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Barium acetate | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 4 | 1 | 2 | Barium acetate | ||
| 5 | 1 | 2 | sodium cacodylate | ||
| 6 | 1 | 2 | 2-methyl-2,4-pentanediol |
