3PRJ
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 | 2008-11-25 |
| Detector | MAR 300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.790, 160.640, 205.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.290 - 3.100 |
| R-factor | 0.2301 |
| Rwork | 0.228 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.401 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.300 | 48.300 | 3.180 |
| High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
| Rmerge | 0.074 | 0.025 | 0.363 |
| Number of reflections | 65825 | 740 | 4582 |
| <I/σ(I)> | 16.97 | 43.2 | 3.8 |
| Completeness [%] | 96.9 | 85.5 | 92.5 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% PEG3350, 0.9 M hexanediol, 0.1 M HEPES pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
