4M3P
Betaine-Homocysteine S-Methyltransferase from Homo sapiens complexed with Homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.097, 102.617, 96.228 |
| Unit cell angles | 90.00, 101.76, 90.00 |
Refinement procedure
| Resolution | 45.222 - 1.895 |
| R-factor | 0.18214 |
| Rwork | 0.180 |
| R-free | 0.21852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lt8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.356 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.222 | 2.010 |
| High resolution limit [Å] | 1.895 | 1.895 |
| Rmerge | 0.083 | 0.374 |
| Number of reflections | 128582 | |
| <I/σ(I)> | 13.7 | 4 |
| Completeness [%] | 98.2 | 90 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 20.0% PEG5000 MME, 0.2 M sodium/potassium tartrate, 1.4% 1,2,3-heptanetriol, pH 7.5, EVAPORATION, temperature 277K |
