4FS3
Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-16 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 126.269, 126.269, 80.913 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.17303 |
| Rwork | 0.171 |
| R-free | 0.20328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mfp |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 30598 | |
| <I/σ(I)> | 38.8 | 3.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 9.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 298 | 32% (w/v) PEG400, 0.1 M NaHEPES, 0.2 M calcium acetate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
