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 |