4KKX
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.870, 61.460, 67.390 |
Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
Resolution | 29.429 - 1.770 |
R-factor | 0.1534 |
Rwork | 0.151 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hpj |
RMSD bond length | 0.011 |
RMSD bond angle | 1.299 |
Data reduction software | MOSFLM |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.626 | 29.429 | 1.870 |
High resolution limit [Å] | 1.770 | 5.600 | 1.770 |
Rmerge | 0.024 | 0.464 | |
Total number of observations | 7328 | 25633 | |
Number of reflections | 63604 | ||
<I/σ(I)> | 9.8 | 26.1 | 1.6 |
Completeness [%] | 86.8 | 99 | 82.9 |
Redundancy | 2.8 | 3.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50 mM Bicine-NaOH, 10-14% PEG 8000, 2 mM spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |