3NFD
Chronobacterium ammoniagenes ACPS-CoA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 1-BM-C |
| Synchrotron site | APS |
| Beamline | 1-BM-C |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 1999-06-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.779, 56.019, 88.279 |
| Unit cell angles | 80.88, 76.23, 60.92 |
Refinement procedure
| Resolution | 20.000 - 1.890 |
| R-factor | 0.21451 |
| Rwork | 0.212 |
| R-free | 0.25933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.036 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.520 | 1.950 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.050 | 0.150 |
| Number of reflections | 52264 | |
| <I/σ(I)> | 58.1 | 6.4 |
| Completeness [%] | 73.0 | 44.2 |
| Redundancy | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 25% PEG MME 5K, 0.1 M MES, 200 mM ammonium sulfate, pH 6.5, EVAPORATION |
