6A4H
Mandelate oxidase mutant-Y128F with the peroxide 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 | 2018-04-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 138.829, 138.829, 107.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.159 - 1.990 |
| R-factor | 0.2188 |
| Rwork | 0.218 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgz |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.836 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX ((1.11.1_2575)) |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.035 | 0.593 |
| Rpim | 0.016 | 0.226 |
| Number of reflections | 35949 | 3461 |
| <I/σ(I)> | 40.6 | 2.87 |
| Completeness [%] | 99.4 | 97.7 |
| Redundancy | 9.7 | 9.6 |
| CC(1/2) | 0.858 |
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 |
