5NFK
Crystal structure of YrbA from Sinorhizobium meliloti in complex with nickel.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.485952,1.486573,1.482608,0.979993 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.887, 31.917, 62.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.416 - 0.980 |
| R-factor | 0.1019 |
| Rwork | 0.101 |
| R-free | 0.11340 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.920 | 1.030 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.074 | 0.359 |
| Rmeas | 0.077 | 0.433 |
| Rpim | 0.023 | 0.236 |
| Number of reflections | 35397 | |
| <I/σ(I)> | 22.5 | 3.2 |
| Completeness [%] | 97.2 | 81.3 |
| Redundancy | 9.3 | 3.1 |
| CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 277 | 1.0 M lithium sulfate 0.01 M nickel chloride 0.1 M Tris-HCl, pH 8.5 |
