3OIF
Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-15 |
| Detector | Bruker Proteum 300 |
| Wavelength(s) | 1.12174 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.098, 83.655, 203.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.980 - 2.600 |
| R-factor | 0.20716 |
| Rwork | 0.203 |
| R-free | 0.27617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c14 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.573 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.108 | 0.283 |
| Total number of observations | 623716 | |
| Number of reflections | 34401 | |
| <I/σ(I)> | 13.2 | 1.77 |
| Completeness [%] | 96.0 | 91.2 |
| Redundancy | 2.5 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.2M di-ammonium tartrate, 20% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
