3TFH
DMSP-dependent demethylase from P. ubique - apo
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 | 2008-10-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.656, 121.727, 59.648 |
| Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
| Resolution | 43.510 - 2.100 |
| R-factor | 0.1677 |
| Rwork | 0.166 |
| R-free | 0.23092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1WOO 1v5v |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.716 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 43819 | |
| <I/σ(I)> | 19.2 | 13 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 298 | 25 mM HEPES, 325 mM NaCl, 20% PEG. PEG increased to 30% for cryo, pH 6.8, Microbatch under oil, temperature 298K |
