Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.246, 53.022, 55.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.365 - 1.699 |
| R-factor | 0.1595 |
| Rwork | 0.157 |
| R-free | 0.19810 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.470 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: dev_842)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.699 | 1.699 |
| Number of reflections | 17248 | |
| <I/σ(I)> | 30.2 | 3.7 |
| Completeness [%] | 97.9 | 96.1 |
| Redundancy | 5.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.025 M MGCL2, 0.1 M KCL, 50 MM NA CACODYLATE PH 6, 15% ISOPROPANOL, 1 MM RHAMNOSE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.025 M MGCL2, 0.1 M KCL, 50 MM NA CACODYLATE PH 6, 15% ISOPROPANOL, 1 MM RHAMNOSE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
