4INE
Crystal structure of N-methyl transferase (PMT-2) from Caenorhabditis elegant complexed with S-adenosyl homocysteine and phosphoethanolamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-03 |
Detector | RAYONIX MX-300 |
Spacegroup name | P 1 |
Unit cell lengths | 57.131, 68.011, 74.742 |
Unit cell angles | 107.18, 96.30, 106.51 |
Refinement procedure
Resolution | 29.630 - 1.450 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ujb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.287 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.634 | |
Number of reflections | 172409 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 96.5 | 93.3 |
Redundancy | 4.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 282 | 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 SAH, 5 mM phosphoethanolamine. Mother liqueur contained 0.04 M potassium phosphate (monobasic), 16% PEG 8,000 and 20% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 282K |