3A9V
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate--CoA ligase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 162.340, 162.340, 162.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.340 - 2.500 |
| Rwork | 0.204 |
| R-free | 0.24000 |
| Structure solution method | MR |
| Starting model (for MR) | 3a9u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.302 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 114.792 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 | 0.381 |
| Total number of observations | 13811 | |
| Number of reflections | 24708 | |
| <I/σ(I)> | 17.8 | 2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Protein solution: 20mg/ml of Pt4CL1, 50mM Tris pH 7.5, 10%(v/v) glycerol, 0.1M NaCl, 10mM AMP, 2mM DTT, 1mM EDTA, precipitate solution: 50mM MES pH 6.0, 1.8M ammonium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
