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 | 2007-11-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 122.704, 202.850, 247.103 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.310 - 3.000 |
| R-factor | 0.18751 |
| Rwork | 0.185 |
| R-free | 0.23393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.704 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.089 | 0.330 |
| Number of reflections | 123152 | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 8.3 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 16% PEG 8000, 200 mM calcium acetate (CaAc2), 22.5 mM sodium nitrite (NO2), 100 mM bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
