3WAQ
Hemerythrin-like domain of DcrH I119E 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 | 2012-10-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.965, 50.859, 76.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.712 - 1.800 |
| R-factor | 0.2095 |
| Rwork | 0.207 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3agt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.322 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.279 |
| Number of reflections | 23644 | |
| <I/σ(I)> | 25.054 | 4.895 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 6.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 7 | 277 | 50mM MOPS, 50mg/mL protein, pH 7.0, SMALL TUBES, temperature 277K |
