4D04
Structure of the Cys65Asp mutant of phenylacetone monooxygenase: reduced state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.879, 107.879, 107.044 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.000 - 1.750 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.21604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yls |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.113 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.760 |
| Rmerge | 0.080 | 0.970 |
| Number of reflections | 72303 | |
| <I/σ(I)> | 9.3 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
