7TG5
Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK in the Presence of Fe Ion from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 31 |
| Unit cell lengths | 66.050, 66.050, 121.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.870 - 1.720 |
| R-factor | 0.1738 |
| Rwork | 0.171 |
| R-free | 0.20770 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.642 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.111 | 1.586 |
| Number of reflections | 62979 | 3179 |
| <I/σ(I)> | 24.1 | 1.67 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.994 | 0.436 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M Sodium acetate, 0.1 M MES pH 6.5, 30 %(w/v) PEG 2000 MME |
