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 |