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 |