4REM
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with delphinidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-12 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.021, 55.121, 85.958 |
Unit cell angles | 90.00, 104.57, 90.00 |
Refinement procedure
Resolution | 37.905 - 2.550 |
R-factor | 0.1838 |
Rwork | 0.181 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wc4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.748 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.099 | 0.051 | 0.323 |
Number of reflections | 14870 | ||
<I/σ(I)> | 11.4 | ||
Completeness [%] | 99.5 | 99.2 | 99.9 |
Redundancy | 3.6 | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.2M ammonium acetate, 26%(w/v) PEG 4000, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |