6N43
Crystal structure of cysteine, nitric oxide-bound ferrous form of the crosslinked human cysteine dioxygenase in the anaerobic condition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 65 |
| Unit cell lengths | 131.161, 131.161, 34.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.728 - 2.289 |
| R-factor | 0.181 |
| Rwork | 0.177 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ic1 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
| High resolution limit [Å] | 2.250 | 5.550 | 2.250 |
| Rmerge | 0.143 | 0.094 | 0.454 |
| Total number of observations | 82602 | ||
| Number of reflections | 16139 | 1165 | 928 |
| <I/σ(I)> | 3.5 | ||
| Completeness [%] | 98.4 | 99.7 | 84.5 |
| Redundancy | 5.1 | 5.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M MES, 2 M ammonium sulfate, 2% PEG400 |
