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 |