3QSG
Crystal structure of NAD-binding phosphogluconate dehydrogenase-like protein from Alicyclobacillus acidocaldarius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.838, 61.005, 50.068 |
| Unit cell angles | 90.00, 112.16, 90.00 |
Refinement procedure
| Resolution | 21.990 - 1.900 |
| R-factor | 0.1859 |
| Rwork | 0.185 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | different crystal form of the same protein (solved by SAD) |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.090 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.065 | 0.421 |
| Number of reflections | 25034 | |
| <I/σ(I)> | 25.1 | 2.5 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 12% PEG6K, 2 M NaCl, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
