2J5I
Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2004-01-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 154.238, 167.487, 130.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 111.800 - 1.800 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uiy |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.639 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 | 0.330 |
| Number of reflections | 308927 | |
| <I/σ(I)> | 21.9 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | PEG 20000 11% W/V PEG 550 MME 8% V/V 0.8M NA FORMATE BUTANE-1,4-DIOL 0,2% V/V 0.05M MES PH 5.6 |
