6A0G
The crystal structure of Mandelate oxidase mutant Y128F with b-Phenyllactate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-23 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 138.259, 138.259, 111.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.16007 |
| Rwork | 0.159 |
| R-free | 0.18187 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgz |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.044 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.800 |
| Rpim | 0.023 | 0.320 |
| Number of reflections | 49996 | 4935 |
| <I/σ(I)> | 34.5 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.1 | 10.7 |
| CC(1/2) | 0.852 |
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 |
