4TXE
ScCTS1 in complex with compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.773, 112.159, 37.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.800 |
| R-factor | 0.16211 |
| Rwork | 0.161 |
| R-free | 0.19108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uy2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.491 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.152 |
| Number of reflections | 27572 | |
| <I/σ(I)> | 23.7 | 5.6 |
| Completeness [%] | 94.9 | 61.5 |
| Redundancy | 4.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.14 | 0.1 M HEPES, 0.8 M NaH2PO4, 0.8 M KH2PO4 |
