1K8Z
CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE 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 | 2000-11-11 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.420, 61.035, 67.534 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.212 * |
| Rwork | 0.209 |
| R-free | 0.26500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qop |
| RMSD bond length | 0.086 |
| RMSD bond angle | 6.358 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.063 * | 0.334 * |
| Total number of observations | 206209 * | |
| Number of reflections | 79508 * | |
| <I/σ(I)> | 9.29 | 2.11 |
| Completeness [%] | 96.4 | 96.1 |
| Redundancy | 2.597 | 2.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.8 | pH 7.80 |
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 | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | pyridoxal 5-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 | Bicine | 50 (mM) | pH7.8 |
