4HKA
Crystal structure of Drosophila melanogaster tryptophan 2,3-dioxygenase in complex with HEME
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-26 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97913 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 114.719, 114.719, 213.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.2276 |
| Rwork | 0.226 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.905 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.066 | 0.565 |
| Number of reflections | 23131 | |
| <I/σ(I)> | 30.4 | 4.7 |
| Completeness [%] | 97.9 | 99.4 |
| Redundancy | 8.1 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES, and 1.1 M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
