3K13
Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron
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 | 2009-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97937 ,0.97951 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.652, 79.992, 127.068 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 46.810 - 2.000 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.18800 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.383 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.109 | 0.531 |
| Number of reflections | 92713 | |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.09M Na HEPES pH 7.5, 1.26 Na citrate, 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
