1K7F
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]VALINE ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.664, 59.074, 67.467 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.25100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qop |
| RMSD bond length | 0.044 * |
| RMSD bond angle | 3.082 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.067 * | 0.240 * |
| Total number of observations | 148762 * | |
| Number of reflections | 53470 | |
| <I/σ(I)> | 9.7 | 2.3 |
| Completeness [%] | 90.6 | 79.7 |
| Redundancy | 2.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | PEG 8000, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | sodium bicine | 50 (mM) | pH7.8 |
| 3 | 1 | drop | sodium-EDTA | 10 (mM) | |
| 4 | 1 | drop | dithioerythritol | 1 (mM) | |
| 5 | 1 | drop | pyridoxal phosphate | 0.020 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 9-12 (%) | |
| 7 | 1 | reservoir | spermine | 1.5 (mM) | |
| 8 | 1 | reservoir | EDTA | 1 (mM) | |
| 9 | 1 | reservoir | sodium bicine | 50 (mM) | pH7.8 |
