6TVH
Selenomethionine-substituted HPF1 from Nematostella vectensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | H 3 |
| Unit cell lengths | 88.948, 88.948, 224.097 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.850 - 2.651 |
| R-factor | 0.2258 |
| Rwork | 0.223 |
| R-free | 0.29350 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.052 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.850 | 2.746 |
| High resolution limit [Å] | 2.650 | 2.651 |
| Rmerge | 0.282 | 0.910 |
| Rmeas | 0.317 | 1.043 |
| Rpim | 0.145 | 0.498 |
| Number of reflections | 37243 | 3001 |
| <I/σ(I)> | 12.91 | 1.15 |
| Completeness [%] | 96.9 | 77.96 |
| Redundancy | 5 | 3.9 |
| CC(1/2) | 0.997 | 0.469 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.2 M immidazole malate pH 5.5, 15% (v/v) PEG 600 |
