5ZZX
The crystal structure of Mandelate oxidase mutant Y128F with (R)-mandelic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 138.134, 138.134, 112.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.490 |
| R-factor | 0.17519 |
| Rwork | 0.174 |
| R-free | 0.19877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.121 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.063 | 0.780 |
| Rmeas | 0.080 | |
| Rpim | 0.024 | 0.260 |
| Number of reflections | 87357 | 8657 |
| <I/σ(I)> | 27.5 | 2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 11.1 | 11.2 |
| CC(1/2) | 0.814 |
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 |
