6TX1
HPF1 from Nematostella vectensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9199 |
| Spacegroup name | H 3 |
| Unit cell lengths | 89.165, 89.165, 223.002 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.968 - 2.091 |
| R-factor | 0.2079 |
| Rwork | 0.205 |
| R-free | 0.27080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet HPF1 from Nematostella vectensis |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3126) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.970 | 2.170 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.130 | 0.910 |
| Rmeas | 0.137 | 1.740 |
| Number of reflections | 41180 | 37974 |
| <I/σ(I)> | 8.1 | 1.1 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 9.7 | 9.7 |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium malonate dibasic monohydrate, 20% v/v PEG 3350 |
