5I2H
Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.516, 83.192, 119.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.893 - 1.551 |
R-factor | 0.1556 |
Rwork | 0.155 |
R-free | 0.19740 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.124 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.056 | 0.041 | 0.605 |
Rmeas | 0.060 | 0.044 | 0.662 |
Rpim | 0.022 | 0.016 | 0.264 |
Total number of observations | 741546 | ||
Number of reflections | 95895 | ||
<I/σ(I)> | 15.7 | ||
Completeness [%] | 99.5 | 98.1 | 94.6 |
Redundancy | 7.7 | 7.7 | 5.9 |
CC(1/2) | 0.998 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 289 | magnesium formate, PEG3350 |