6WLF
Phosphoethanolamine Methyltransferase from the Pine Wilt Nematode Bursaphelenchus xylophilus
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 | 2015-01-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.948, 98.259, 164.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.983 - 2.050 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4krg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.824 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.685 | |
| Number of reflections | 66561 | 4273 |
| <I/σ(I)> | 23.8 | 1.6 |
| Completeness [%] | 99.2 | 94.8 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 1.2 M potassium phosphate (dibasic)/0.8 M sodium phosphate (monobasic) and 0.1 M sodium acetate/acetic acid, pH 4.5) with 5 mM pEA and 0.5 mM SAH |
