6U0S
Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-02 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.339, 187.129, 239.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.120 - 2.520 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u0p |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.473 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.5.23) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.120 | 49.120 | 2.560 |
| High resolution limit [Å] | 2.520 | 13.800 | 2.520 |
| Rmerge | 0.131 | 0.055 | 1.337 |
| Rmeas | 0.141 | 0.061 | 1.447 |
| Rpim | 0.053 | 0.024 | 0.551 |
| Total number of observations | 967629 | 5813 | 46448 |
| Number of reflections | 138900 | 959 | 6787 |
| <I/σ(I)> | 11.1 | 23.3 | 2 |
| Completeness [%] | 100.0 | 97.8 | 100 |
| Redundancy | 7 | 6.1 | 6.8 |
| CC(1/2) | 0.996 | 0.996 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 295 | 30% PEG 400, 0.2M MgCl2, and 0.1 HEPES pH 7.5 |
