4C77
Phenylacetone monooxygenase: oxidised R337K mutant in complex with APADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14 |
Synchrotron site | ESRF |
Beamline | ID14 |
Temperature [K] | 100 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 107.360, 107.360, 106.790 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.090 - 2.700 |
R-factor | 0.19629 |
Rwork | 0.193 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yls |
RMSD bond length | 0.012 |
RMSD bond angle | 1.703 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 19765 | |
<I/σ(I)> | 8.2 | 2.9 |
Completeness [%] | 99.1 | 99.6 |
Redundancy | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |