3I5M
Structure of the apo form of leucoanthocyanidin reductase from vitis vinifera
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.421, 50.715, 68.051 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 66.230 - 2.720 |
| R-factor | 0.17426 |
| Rwork | 0.171 |
| R-free | 0.23453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i52 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.332 |
| 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] | 66.230 | 2.870 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.107 | 0.294 |
| Number of reflections | 7546 | |
| <I/σ(I)> | 5 | 2 |
| Completeness [%] | 90.0 | 92.5 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000 35%, sodium acetate 340mM, Tris 0.1M, sodium azide 3mM, glycerol 3.5%, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
