5JRI
Structure of an oxidoreductase SeMet-labelled from Synechocystis sp. PCC6803
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.734, 79.327, 127.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.080 - 1.952 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24210 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.302 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((dev_2341: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.080 | 2.022 |
| High resolution limit [Å] | 1.952 | 1.952 |
| Rmerge | 0.238 | 1.545 |
| Number of reflections | 101579 | |
| <I/σ(I)> | 5.94 | 1 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 6.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM Bis-tris propane, pH 7.5 200 mM Na2SO4 20% PEG 3350 |
