3ELN
A Putative Fe2+-bound Persulfenate Intermediate in Cysteine Dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 57.523, 57.523, 122.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.680 - 1.420 |
| R-factor | 0.13545 |
| Rwork | 0.133 |
| R-free | 0.17662 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.605 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Number of reflections | 39648 | |
| Completeness [%] | 100.0 | 99.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | Purified enzyme was concentrated to ~8 mg/mL and then added into a crystallization screen containing 0.1 M tri-sodium citrate pH=5.6, 24-34% PEG 4K, and 0.1-0.25 M ammonium acetate. 1.5L of protein solution was added to each well and mixed with an equivalent volume of reservoir solution., VAPOR DIFFUSION, SITTING DROP, temperature 298K |
