5L6X
CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2013-08-20 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.023, 89.410, 68.604 |
| Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| Rwork | 0.181 |
| R-free | 0.21320 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pgt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.546 |
| Data reduction software | SAINT (V8.30C) |
| Data scaling software | SAINT (V8.30C) |
| Phasing software | CNS (1.2) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.000 | 2.066 | |
| High resolution limit [Å] | 1.995 | 4.288 | 1.995 |
| Total number of observations | 181113 | ||
| Number of reflections | 31283 | ||
| <I/σ(I)> | 31.148 | ||
| Completeness [%] | 99.0 | ||
| Redundancy | 5.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 100 mM HEPES pH 6, 10 mM DTT, 100 mM CaCl2, 30% PEG 6000, Ligand was soaked o/n prior diffraction |
