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 |