1JQW
THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 61.202, 61.202, 150.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.300 |
R-factor | 0.175 * |
Rwork | 0.175 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j98 |
RMSD bond length | 0.011 |
RMSD bond angle | 23.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.062 * | 0.501 * |
Total number of observations | 38530 * | |
Number of reflections | 7264 | 185 * |
<I/σ(I)> | 20.8 | 3.35 |
Completeness [%] | 90.8 | 94.5 |
Redundancy | 5.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 1.8 - 2.4M AMMONIUM SULPHATE, 0.1M TRIS-HCL, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.8-2.2 (M) | |
2 | 1 | reservoir | Tris-HCl | 0.1 (M) |