4C74
Phenylacetone monooxygenase: Reduced enzyme 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 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 107.619, 107.619, 106.464 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.220 - 1.970 |
R-factor | 0.23681 |
Rwork | 0.235 |
R-free | 0.27841 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yls |
RMSD bond length | 0.020 |
RMSD bond angle | 2.105 |
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] | 70.000 | 2.080 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.160 | 1.000 |
Number of reflections | 50703 | |
<I/σ(I)> | 7.7 | 2.8 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 10.1 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |