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 |