3SPX
Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 115.266, 61.974, 43.427 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.200 - 1.790 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.104 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.790 | 4.880 | 1.790 |
| Rmerge | 0.064 | 0.024 | 0.386 |
| Number of reflections | 29629 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 99.3 | 99.9 | 92.1 |
| Redundancy | 7.8 | 7.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | KSCN, PEG 3350, Bis-tris propane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
