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 |