3OIG
Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and INH)
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 | I 2 2 2 |
| Unit cell lengths | 69.126, 80.004, 88.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.690 - 1.250 |
| R-factor | 0.16749 |
| Rwork | 0.167 |
| R-free | 0.18480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oif |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.461 |
| 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] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.099 | 0.470 |
| Total number of observations | 672557 | |
| Number of reflections | 67984 | |
| <I/σ(I)> | 19.8 | 1.93 |
| Completeness [%] | 99.8 | |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.2M di-ammonium tartrate, 22% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
