3CEP
Structure of a tryptophan synthase quinonoid intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.024, 58.908, 67.086 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 23.700 - 2.100 |
| R-factor | 0.19997 |
| Rwork | 0.198 |
| R-free | 0.23843 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qop |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.158 |
| 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] | 24.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.119 | 0.348 |
| Number of reflections | 41128 | |
| <I/σ(I)> | 6.7 | 3.1 |
| Completeness [%] | 97.9 | 98 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 50mM bicine (pH 7.8), 1mM EDTA, 5mM dithioerythritol, 0.02mM pyridoxal phosphate solution, 2mM spermine, and 10% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
