4D4Q
Crystal Structure of Kti13/AtS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.750, 96.600, 97.350 |
| Unit cell angles | 90.00, 95.62, 90.00 |
Refinement procedure
| Resolution | 43.302 - 2.395 |
| R-factor | 0.2355 |
| Rwork | 0.234 |
| R-free | 0.26060 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.492 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | |
| Number of reflections | 25887 | |
| <I/σ(I)> | 11.88 | |
| Completeness [%] | 99.8 | 98.1 |
| Redundancy | 9.33 | 8.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM HEPES PH 7.5 AND 6% PEG 3350 |
