22NW
ethylene forming enzyme in complex with 2-oxoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9779 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 79.252, 97.766, 97.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 1.870 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.935 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rpim | 0.030 | 0.246 |
| Number of reflections | 31890 | 1577 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.2 | |
| CC(1/2) | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.15 | 0.1 M sodium cacodylate pH 6.5, 25% (w/v) polyethylene glycol (PEG) 4000 |
