3WHN
Hemerythrin-like domain of DcrH I119H mutant (met)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.573, 44.082, 46.715 |
| Unit cell angles | 92.71, 102.59, 90.02 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3agt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.356 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.7.0029) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.098 | 0.323 |
| Number of reflections | 20052 | |
| <I/σ(I)> | 14.282 | 4.167 |
| Completeness [%] | 97.9 | 96.4 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 283 | 30 % (W/V) PEG 4000, 0.2M CaCl2, 12% (V/V) isopropanol, 0.1M TrisHCl, pH 8.2, vapor diffusion, hanging drop, temperature 283K |
