4XFA
cysteine dioxygenase variant - Y157F at pH 8.0 in complex with homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 57.600, 57.600, 122.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 1.650 |
| R-factor | 0.1731 |
| Rwork | 0.169 |
| R-free | 0.20960 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ieu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.330 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 25071 | |
| <I/σ(I)> | 26.3 | 2 |
| Completeness [%] | 98.9 | 95.2 |
| Redundancy | 27.4 | 22.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 0.1M tri-sodium citrate pH=5.6, 24% PEG 4000, 0.15M ammonium acetate. 1:1 drop ratio with microseeding.; Soak solution at pH 8.0 |
