2H11
Amino-terminal Truncated Thiopurine S-Methyltransferase Complexed with S-Adenosyl-L-Homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 42 |
| Unit cell lengths | 85.636, 85.636, 69.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.580 - 1.890 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 2BZG |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | GLRF |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.580 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.134 | |
| Number of reflections | 40150 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 98.7 | 91.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 289 | 30% PEG3350, 200mM potassium thiocyanate, 100mM buffer Bis-tris propane pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
