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 |