6OXJ
X-ray crystal structure of Y140F FtmOx1 bound to Fe(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.884, 78.069, 91.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.370 - 1.550 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ZON |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.040 | 0.021 | 0.417 |
| Rmeas | 0.046 | 0.023 | 0.485 |
| Rpim | 0.021 | 0.010 | 0.241 |
| Total number of observations | 322599 | ||
| Number of reflections | 75233 | 4106 | 3743 |
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 96.5 | 98.2 | 97.5 |
| Redundancy | 4.3 | 5.4 | 3.7 |
| CC(1/2) | 0.999 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 293 | PEG4000, magnesium chloride, Tris-HCl |
