7OLF
Crystal structure of FMNH2-dependent monooxygenase from Agrobacterium tumefaciens for oxidative desulfurization of sulfoquinovose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 203.762, 203.762, 110.734 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.000 - 3.400 |
| R-factor | 0.2206 |
| Rwork | 0.218 |
| R-free | 0.26120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BALBES |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.650 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.940 | 48.940 | 3.670 |
| High resolution limit [Å] | 3.400 | 9.000 | 3.400 |
| Rmerge | 0.119 | 0.052 | 0.364 |
| Rmeas | 0.123 | 0.053 | 0.387 |
| Rpim | 0.031 | 0.012 | 0.127 |
| Total number of observations | 302552 | 24605 | 34248 |
| Number of reflections | 19137 | 1163 | 3864 |
| <I/σ(I)> | 16 | 47.6 | 5.1 |
| Completeness [%] | 99.9 | 99.4 | 99.9 |
| Redundancy | 15.8 | 21.2 | 8.9 |
| CC(1/2) | 0.998 | 0.999 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaCl, 0.1 M MES pH 6, 26% PEG 6000 |
