3AGT
Hemerythrin-like domain of DcrH (met)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-01 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.84 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.311, 44.873, 48.127 |
| Unit cell angles | 95.27, 104.20, 90.03 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| Rwork | 0.203 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2awy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.475 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (refmac_5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.064 | 0.300 |
| Number of reflections | 51015 | |
| <I/σ(I)> | 18.842 | 2.7 |
| Completeness [%] | 96.5 | 89.7 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 24 % (W/V) PEG 4000, 0.2M CaCl2, 12 % (V/V) isopropanol, 0.1M TrisHCl, pH 8.5, vapor diffusion, hanging drop, temperature 277K |
