3IOY
Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.683, 100.753, 63.463 |
| Unit cell angles | 90.00, 101.91, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.20248 |
| Rwork | 0.201 |
| R-free | 0.23346 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.432 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.091 | 0.078 | 0.475 |
| Number of reflections | 49623 | ||
| <I/σ(I)> | 13.3 | ||
| Completeness [%] | 99.7 | 98.2 | 99.1 |
| Redundancy | 7.2 | 7.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2.4 M Sodium Malonate pH 7.5, Vapor diffusion, Sitting drop, temperature 298K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2.4 M Sodium Malonate pH 7.5, Vapor diffusion, Sitting drop, temperature 298K |
