1KWS
CRYSTAL STRUCTURE OF BETA1,3-GLUCURONYLTRANSFERASE I IN COMPLEX WITH THE ACTIVE UDP-GLCUA DONOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.625, 47.978, 102.152 |
| Unit cell angles | 90.00, 93.10, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.100 |
| R-factor | 0.187 * |
| Rwork | 0.187 |
| R-free | 0.22300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1fgg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.400 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.082 | 0.309 |
| Total number of observations | 112504 * | |
| Number of reflections | 32779 * | |
| <I/σ(I)> | 12.8 | 3 |
| Completeness [%] | 99.5 | 96 |
| Redundancy | 3.4 | 2.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 23 * | MES, MME-PEG2K, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | GlcAT-I | 15 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25 (mM) | pH7.5 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | drop | UDP-GlcUA | 10 (mM) | |
| 6 | 1 | reservoir | PEG2000 MME | 21 (%) | |
| 7 | 1 | reservoir | MES | 100 (mM) | pH6.0 |
