3I6Q
Structure of the binary complex leucoanthocyanidin reductase-NADPH from vitis vinifera
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.866, 50.894, 68.935 |
| Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
| Resolution | 40.620 - 1.870 |
| R-factor | 0.18218 |
| Rwork | 0.179 |
| R-free | 0.24525 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qx7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.441 |
| 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] | 40.620 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.077 | 0.355 |
| Number of reflections | 24470 | |
| <I/σ(I)> | 6 | 2 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000 31%, TRIS-HCL 0.1M, SODIUM ACETATE 0.2M, glycerol 2.5%, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
