4MWZ
Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine, phosphate and amodiaquine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-23 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.440, 86.620, 78.270 |
| Unit cell angles | 90.00, 103.23, 90.00 |
Refinement procedure
| Resolution | 36.446 - 1.500 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.17790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uj6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.137 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 152303 | |
| <I/σ(I)> | 9.76 | 2.36 |
| Completeness [%] | 99.3 | 98.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Precipitant was 20% PEG 3350, 200 mM NH4-formate; protein solution contained 10 mM EDTA, 10 mM bME, 50 mM Tris-HCl, concentration was 15 mg/mL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
