6A1R
Mandelate oxidase mutant-Y128F with the N5-phenylacetyl-FMN adduct
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 | 2016-04-26 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.90 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 138.124, 138.124, 112.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.652 |
R-factor | 0.1639 |
Rwork | 0.163 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sgz |
RMSD bond length | 0.019 |
RMSD bond angle | 1.529 |
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 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.044 | 0.730 |
Rpim | 0.021 | 0.255 |
Number of reflections | 64733 | 6400 |
<I/σ(I)> | 36.81 | 3.16 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.2 | 12.1 |
CC(1/2) | 0.877 |
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 |