6U0P
Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1
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 | 2016-01-08 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.569, 187.409, 241.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.340 - 2.020 |
| R-factor | 0.1716 |
| Rwork | 0.170 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z2u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.750 |
| 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] | 49.340 | 49.340 | 2.050 |
| High resolution limit [Å] | 2.020 | 11.060 | 2.020 |
| Rmerge | 0.109 | 0.056 | 0.803 |
| Rmeas | 0.122 | 0.063 | 0.906 |
| Rpim | 0.054 | 0.029 | 0.410 |
| Total number of observations | 1275602 | 7825 | 59152 |
| Number of reflections | 270573 | 1771 | 13277 |
| <I/σ(I)> | 8.8 | 16.6 | 2.2 |
| Completeness [%] | 99.8 | 95.9 | 100 |
| Redundancy | 4.7 | 4.4 | 4.5 |
| CC(1/2) | 0.994 | 0.994 | 0.689 |
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 |
