5GWX
Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylmethionine and sarcosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 51.733, 120.710, 130.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.195 - 2.205 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hil |
RMSD bond length | 0.007 |
RMSD bond angle | 0.815 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.195 | 2.280 |
High resolution limit [Å] | 2.205 | 2.200 |
Number of reflections | 20701 | |
<I/σ(I)> | 18.075 | |
Completeness [%] | 98.0 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 277.15 | Protein solution: GSMT (6.6 mg/ml) in 100 mM TES pH 7.3, 2 M KCl, 1 mM EDTA, 1 mM 2-Mercaptoethanol, 0.1 mM SAH and 0.2 M sarcosine. Crystallization reagent: 0.2 M Potassium sodium tartrate tetrahydrate and 20% (w/v) Polyethylene Glycol 3350. 2 mM SAM and 685 mM sarcosine were soaked into crystals before data collection |