4IV0
Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine and phosphate
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 | 2011-03-14 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.170, 86.870, 79.580 |
Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
Resolution | 19.684 - 1.400 |
R-factor | 0.1583 |
Rwork | 0.157 |
R-free | 0.17850 |
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 (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.440 | |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.082 | 0.038 | 0.556 |
Number of reflections | 98848 | 1116 | 7155 |
<I/σ(I)> | 13.61 | 33.26 | 2.99 |
Completeness [%] | 98.8 | 96 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | Protein solution was at 15 mg/mL containing 20 mM Tris (pH 7.5), 100 mM NaCl, 10 mM EDTA and 10 mM bME, 5 mM SAM. Mother liqueur contained 0.2 M Ammonium formate and 20% PEG 3,350. Cryoprotectant was 30% PEG 3,350 , VAPOR DIFFUSION, SITTING DROP, temperature 277K |