3PR2
Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-12-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.170, 60.620, 67.380 |
| Unit cell angles | 90.00, 94.62, 90.00 |
Refinement procedure
| Resolution | 19.510 - 1.850 |
| R-factor | 0.19953 |
| Rwork | 0.198 |
| R-free | 0.22712 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.227 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 59360 | |
| Completeness [%] | 93.9 | 86.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 50 MM BICINE, 1 MM EDTA, 5 MM DITHIOERYTHRITOL, 0.02 MM PYRIDOXAL PHOSPHATE SOLUTION, 2 MM SPERMINE, AND 10% PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
