Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.430, 100.714, 70.346 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 48.560 - 2.152 |
| R-factor | 0.2218 |
| Rwork | 0.220 |
| R-free | 0.25850 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.702 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.600 | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
| Rmerge | 0.094 | 0.073 | 0.772 |
| Number of reflections | 41638 | ||
| <I/σ(I)> | 10.1 | 2.41 | |
| Completeness [%] | 99.3 | 99.9 | 92.8 |
| Redundancy | 12 | 14.2 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M calcium acetate, 0.1 M cacodylate buffer, 40% PEG-3000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
