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. |
