3T4P
Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani in complex with designed tetrapeptide
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 | 2010-05-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 115.300, 61.930, 43.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.690 - 1.770 |
| R-factor | 0.17839 |
| Rwork | 0.177 |
| R-free | 0.20815 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spx |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.325 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.818 |
| High resolution limit [Å] | 1.770 | 1.772 |
| Rmerge | 0.426 | |
| Number of reflections | 29549 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 97.9 | 77.4 |
| Redundancy | 6.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | KSCN, PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
