5WP4
Arabidopsis thaliana phosphoethanolamine N-methyltransferase 1 (AtPMT1, XIOPTL) in complex with SAH and phosphocholine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2011-11-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.261, 86.032, 68.242 |
| Unit cell angles | 90.00, 106.15, 90.00 |
Refinement procedure
| Resolution | 26.734 - 1.341 |
| R-factor | 0.1524 |
| Rwork | 0.152 |
| R-free | 0.16610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 4KRG & 4KRH |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.106 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.734 | |
| High resolution limit [Å] | 1.340 | 1.340 |
| Number of reflections | 121932 | |
| <I/σ(I)> | 30.2 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 16% w/v PEG8000, 0.04 M potassium phosphate monobasic, 20% v/v glycerol |
