2P35
Crystal structure of trans-aconitate methyltransferase from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 65 |
| Unit cell lengths | 103.097, 103.097, 107.457 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.240 - 1.950 |
| R-factor | 0.18713 |
| Rwork | 0.186 |
| R-free | 0.21435 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.240 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.081 | 0.677 |
| Number of reflections | 47098 | |
| <I/σ(I)> | 30.65 | 1.6 |
| Completeness [%] | 99.3 | 93.8 |
| Redundancy | 10.5 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.1M Na(OAC) pH 4.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
