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 |