3NI2
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97916 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 161.510, 161.510, 161.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.970 - 1.900 |
| Rwork | 0.177 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a9v |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.333 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 114.205 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 55010 |
| Completeness [%] | 100.0 |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | ammonium citrate, pH 8, vapor diffusion, hanging drop, temperature 298K |
