5HIJ
Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with betaine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 52.176, 120.545, 131.368 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.724 - 1.930 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hil |
RMSD bond length | 0.007 |
RMSD bond angle | 0.964 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 31210 | |
<I/σ(I)> | 21.7 | 3.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | Protein solution: GSMT (6.6 mg/ml) in 100 mM TES pH 7.3, 2 M KCl, 1 mM EDTA and 1 mM 2-Mercaptoethanol. Crystallization reagent: 0.2 M Potassium sodium tartrate tetrahydrate, 20% w/v Polyethylene glycol 3,350. Betaine was soaked into crystals before data collection. |