3HFS
Structure of apo anthocyanidin reductase from vitis vinifera
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.518, 51.012, 86.113 |
| Unit cell angles | 90.00, 110.31, 90.00 |
Refinement procedure
| Resolution | 79.310 - 3.170 |
| R-factor | 0.22518 |
| Rwork | 0.221 |
| R-free | 0.29912 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.309 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.840 | 3.340 |
| High resolution limit [Å] | 3.170 | 3.170 |
| Number of reflections | 11952 | |
| <I/σ(I)> | 6 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.85 | 293 | 0.12 M MGCL2, 0.1 M BIS6TRIS PH 6.85, 21% PEG 3350, 2.5 % GLYCEROL, TEMERATURE 293K, VAPOR DIFFUSION, HANGING DROP, temperature 100K |
