4WHM
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.059, 55.335, 85.517 |
| Unit cell angles | 90.00, 105.04, 90.00 |
Refinement procedure
| Resolution | 26.235 - 1.851 |
| R-factor | 0.1531 |
| Rwork | 0.151 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wc4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.132 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.083 | 0.041 | 0.374 |
| Total number of observations | 142408 | ||
| Number of reflections | 38569 | ||
| <I/σ(I)> | 8.8 | 2.1 | |
| Completeness [%] | 99.6 | 99.1 | 97.5 |
| Redundancy | 3.7 | 3.7 | 3.1 |
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 |
