6A0M
Mandelate oxidase mutant-Y128F with 2-Phenylacetic acid
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 | 138.150, 138.150, 111.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.16396 |
Rwork | 0.163 |
R-free | 0.18519 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sgz |
RMSD bond length | 0.018 |
RMSD bond angle | 1.834 |
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 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.037 | 0.790 |
Rpim | 0.021 | 0.360 |
Number of reflections | 54092 | 5363 |
<I/σ(I)> | 35.8 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.3 | 7.8 |
CC(1/2) | 0.768 |
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 |