5L8D
X-ray structure of NikA from Escherichia coli in complex with Ru(bis(pyrzol-1-yl)acetate scorpionate)(CO)2Cl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2015-02-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.303, 93.606, 124.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.800 - 1.800 |
| R-factor | 0.1697 |
| Rwork | 0.168 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mvw |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.898 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.800 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 92563 |
| <I/σ(I)> | 21.24 |
| Completeness [%] | 98.8 |
| Redundancy | 4.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1.8 M ammonium sulfate, 100 mM sodium acetate pH 4.7 |
