2FQO
Crystal structure of B. subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3R)-2,3-dihydroxy-3-N- hydroxycarbamoyl-propylmercapto]butyric acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-01 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 62.810, 62.810, 148.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.200 - 1.870 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.22100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ycl |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear (D*TREK (MSC/RIGAKU)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.200 | 1.950 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.052 | 0.184 |
Number of reflections | 14882 | |
<I/σ(I)> | 22 | 3.1 |
Completeness [%] | 98.6 | 98.6 |
Redundancy | 5.9 | 90.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1M HEPES, 2.2M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |