3TLJ
Crystal structure of Trm14 from Pyrococcus furiosus in complex with S-adenosyl-L-homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.520, 45.330, 122.230 |
| Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
| Resolution | 49.620 - 2.200 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.21987 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PfTrm14 solved with seleno methionine SAD phasing |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.564 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.108 | 0.108 |
| Number of reflections | 46452 | |
| <I/σ(I)> | 9.3 | 2.7 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris-acetate, 32% PEG 4000, 15% glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
