4JRO
Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (FabG)from Listeria monocytogenes in complex with NADP+
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 | 2013-03-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.977, 93.695, 89.079 |
| Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
| Resolution | 46.890 - 1.920 |
| R-factor | 0.1652 |
| Rwork | 0.163 |
| R-free | 0.20130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.324 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.094 | 0.432 |
| Number of reflections | 77534 | |
| <I/σ(I)> | 22.8 | 3 |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289 | 0.200M Trimethylamine N-oxide, 0.100M Tris, 20% w/v PEG 2K MME, pH 8.5, vapor diffusion, temperature 289K |
