3FWN
Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate and 2'-monophosphoadenosine-5'-diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.332, 117.952, 119.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.19270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pgo |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.894 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.068 | 0.724 |
| Number of reflections | 150582 | |
| <I/σ(I)> | 36.1 | 2.7 |
| Completeness [%] | 97.2 | 93.7 |
| Redundancy | 6.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 291 | 0.1M trisodium citrate dihrdrate, 0.5M ammonium acetate, 6-7 % PEG 3350, 17-18% PEG 4000, 3mM 6-phosphogluconate, 0.25mM NADPH, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
