3PTZ
Role of Packing Defects in the Evolution of Allostery and Induced Fit in Human UDP-Glucose Dehydrogenase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-01 |
| Detector | MAR 300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.100, 196.670, 111.744 |
| Unit cell angles | 90.00, 111.88, 90.00 |
Refinement procedure
| Resolution | 49.167 - 2.500 |
| R-factor | 0.19237 |
| Rwork | 0.189 |
| R-free | 0.25778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q3e |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.797 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.167 | 49.167 | 2.630 |
| High resolution limit [Å] | 2.500 | 7.900 | 2.500 |
| Rmerge | 0.023 | 0.390 | |
| Number of reflections | 119611 | ||
| <I/σ(I)> | 15.7 | 26.4 | 2.1 |
| Completeness [%] | 97.5 | 97.3 | 91.5 |
| Redundancy | 3.8 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10% PEG3350, 6% heptanediol, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
