1A5S
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE AREA DETECTOR |
| Collection date | 1995-11 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.700, 60.800, 67.500 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.24700 |
| Structure solution method | ISOMORPHOUS WITH PDB ENTRY 1WSY. |
| Starting model (for MR) | 1WSY |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 | 0.210 |
| Total number of observations | 68449 * | |
| Number of reflections | 31198 | |
| <I/σ(I)> | 13.5 | 4.2 |
| Completeness [%] | 93.8 | 89.8 |
| Redundancy | 2.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.8 | drop consists of equal volume of enzyme and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | bicine | 50 (mM) | |
| 3 | 1 | drop | pyridoxal phosphate | 0.02 (M) | |
| 4 | 1 | reservoir | bicine | 50 (mM) | |
| 5 | 1 | reservoir | spermine | 1-2 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 10 (%) |
