3I52
Ternary complex structure 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 | 2008-06-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.681, 50.870, 68.961 |
| Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
| Resolution | 40.590 - 2.280 |
| R-factor | 0.14537 |
| Rwork | 0.142 |
| R-free | 0.21196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cjv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.485 |
| 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] | 40.590 | 2.400 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.080 | 0.338 |
| Number of reflections | 13391 | |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 93.8 | 97.5 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Sodium acetate 0.3M, PEG 4000 32.5%, TRIS HCL 0.1M, Glycerol 2.5%, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
