3I6I
Structure of the binary complex leucoanthocyanidin reductase - NADPH 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 | 2008-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.079, 50.236, 67.424 |
| Unit cell angles | 90.00, 103.56, 90.00 |
Refinement procedure
| Resolution | 40.620 - 1.750 |
| R-factor | 0.15419 |
| Rwork | 0.152 |
| R-free | 0.19618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i52 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.510 |
| 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] | 65.510 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 28119 | |
| <I/σ(I)> | 6.7 | 2 |
| Completeness [%] | 94.8 | 94.8 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Sodium acetate 0.36M, PEG 4000 38%, Tris 100mM, NaN3 3mM, glycerol 2.5%, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
