4E21
The crystal structure of 6-phosphogluconate dehydrogenase from Geobacter metallireducens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9788 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.297, 184.832, 93.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.715 - 2.301 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.23950 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.092 | 0.477 |
| Number of reflections | 38644 | |
| <I/σ(I)> | 14.33 | 2.5 |
| Completeness [%] | 98.4 | 96.3 |
| Redundancy | 6.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 M ammonium acetate, 0.1 M Bis-tris pH 5.5, 45% v/v (+/-)-2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
