3I1J
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.253, 71.599, 131.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.460 - 1.900 |
| R-factor | 0.16897 |
| Rwork | 0.166 |
| R-free | 0.22414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | generated from Swiss-Modeller |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.501 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.460 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.067 | 0.477 |
| Number of reflections | 38997 | |
| <I/σ(I)> | 25.8 | 4.8 |
| Completeness [%] | 98.8 | 97.2 |
| Redundancy | 6.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.2M Ammonium Acetate, 0.1M Bis-Tris pH5.5, 25%PEG3350. cryoprotected in 25% ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 294K |
