7BE8
Escherichia coli YtfE (Mn)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-03-31 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.891750 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.145, 50.119, 88.238 |
| Unit cell angles | 90.00, 100.30, 90.00 |
Refinement procedure
| Resolution | 59.180 - 2.020 |
| R-factor | 0.2409 |
| Rwork | 0.239 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fnn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.459 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.552 | 2.542 |
| High resolution limit [Å] | 2.499 | 2.499 |
| Rmerge | 0.090 | |
| Rmeas | 0.098 | |
| Rpim | 0.038 | |
| Number of reflections | 17917 | 864 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 98.4 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.997 | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Tris-HCl pH 8.5, PEG 4000, Magnesium chloride, manganese cloride |
