6UFF
Structure of Ene-reductase 1 NostocER1 from cyanobacteria
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.978950 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.565, 95.589, 99.903 |
| Unit cell angles | 66.79, 89.91, 82.58 |
Refinement procedure
| Resolution | 29.522 - 2.007 |
| R-factor | 0.1757 |
| Rwork | 0.173 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gka |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.919 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.010 |
| Rmerge | 0.102 | 0.668 |
| Rmeas | 0.120 | 0.796 |
| Number of reflections | 178989 | 28111 |
| <I/σ(I)> | 8.73 | 1.63 |
| Completeness [%] | 97.3 | 94.5 |
| Redundancy | 3.6 | 3.37 |
| CC(1/2) | 0.995 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 295 | 0.1M Tricine HCl pH 9.0, 0.1-0.2M CaCl2, 28-30% w/v PEG 3350 |
