6A36
Mandelate oxidase mutant-Y128F with the 3-fluoropyruvic acid FMN adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 137.749, 137.749, 111.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.440 |
| R-factor | 0.17688 |
| Rwork | 0.176 |
| R-free | 0.19242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.650 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.028 | 0.671 |
| Rpim | 0.013 | 0.241 |
| Number of reflections | 96402 | 9506 |
| <I/σ(I)> | 52.4 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 11.8 |
| CC(1/2) | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 35% Tascimate, 0.1M Bis-Tris propane pH 7.0 |
