1K3R
Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-12-09 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97918, 0.97931, 1.03320 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.307, 51.353, 109.250 |
Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
Resolution | 100.000 * - 2.300 |
R-factor | 0.221 * |
Rwork | 0.221 |
R-free | 0.27700 * |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.542 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.074 * | 0.421 * |
Total number of observations | 161118 * | |
Number of reflections | 25125 | |
Completeness [%] | 99.4 | 96.6 * |
Redundancy | 6.36 * | 4.23 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 23 * | 30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
1 | Vapor diffusion * | 6.5 | 23 * | 30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
1 | Vapor diffusion * | 6.5 | 23 * | 30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.7 (mg/ml) | |
2 | 1 | drop | Jeffamine M-600 | 15 (%(v/v)) | |
3 | 1 | drop | MES | 50 (mM) | pH6.5 |
4 | 1 | drop | 25 (mM) | ||
5 | 1 | reservoir | Jeffamine M-600 | 30 (%(v/v)) | |
6 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
7 | 1 | reservoir | 50 (mM) |