6OXH
X-ray crystal structure of His-tagged Y140F FtmOx1 bound to Fe(II) and 2-oxoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.512, 79.362, 91.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.960 - 1.920 |
| R-factor | 0.2313 |
| Rwork | 0.230 |
| R-free | 0.25840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ZON |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 5.210 | 1.920 |
| Rmerge | 0.080 | 0.041 | 0.850 |
| Rmeas | 0.087 | 0.044 | 0.930 |
| Rpim | 0.033 | 0.018 | 0.371 |
| Total number of observations | 271901 | ||
| Number of reflections | 40810 | 2238 | 1892 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 98.8 | 99.3 | 93.7 |
| Redundancy | 6.7 | 6.6 | 5.7 |
| CC(1/2) | 0.998 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 293 | PEG4000, magnesium chloride, Tris-HCl |
