6A1B
Mandelate oxidase mutant-Y128F with 3,3,3-trifluoro-2,2-dihydroxypropanoic acid
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 | 2016-08-27 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 137.546, 137.546, 112.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.470 |
| R-factor | 0.1642 |
| Rwork | 0.163 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.508 |
| 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 | 1.520 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.028 | 0.710 |
| Rmeas | 0.901 | |
| Rpim | 0.014 | 0.270 |
| Number of reflections | 90676 | 8946 |
| <I/σ(I)> | 49.2 | 2.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11.9 | 11.1 |
| CC(1/2) | 0.843 |
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 |
