3IAH
Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.664, 43.302, 71.916 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 27.430 - 1.830 |
| R-factor | 0.14497 |
| Rwork | 0.143 |
| R-free | 0.17644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g1t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.078 | 0.353 |
| Number of reflections | 43678 | |
| <I/σ(I)> | 15.5 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | Protein solution:0.3M NaCl, 10mM HEPES (pH 7.5); Screen solution: 0.2M Ammonium Acetate, 10mM NADP, 0.1M Bis-Tris (pH 5.5), 25% PEG 3350. , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
