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 |