7TZP
Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 161.387, 256.020, 260.642 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 2.600 |
| R-factor | 0.1911 |
| Rwork | 0.189 |
| R-free | 0.22660 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.175 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.157 | 1.229 |
| Rmeas | 0.169 | 1.318 |
| Rpim | 0.061 | 0.475 |
| Number of reflections | 82427 | 4121 |
| <I/σ(I)> | 13.8 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.7 |
| CC(1/2) | 0.993 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | Protein: 13.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: ComPAS (A2), 0.5M Potassium chloride, 12% (w/v) PEGr800, 10% (w/v) Glycerol |
