4CNE
Crystal structure of E.coli TrmJ in complex with S-adenosyl-L- homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.440, 72.850, 55.540 |
| Unit cell angles | 90.00, 107.75, 90.00 |
Refinement procedure
| Resolution | 19.580 - 1.900 |
| R-factor | 0.18236 |
| Rwork | 0.180 |
| R-free | 0.22753 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cnd |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.495 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 24619 | |
| <I/σ(I)> | 17.2 | 3.4 |
| Completeness [%] | 99.9 | 91.9 |
| Redundancy | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.02M NA/KPO4, 0.1M MES PH6.5, 20% PEG3350, pH 4.6 |
