3VDZ
Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-15 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 |
Unit cell lengths | 46.166, 46.166, 113.552 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.851 - 2.400 |
R-factor | 0.228 |
Rwork | 0.223 |
R-free | 0.26990 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.370 |
Data reduction software | SAINT (V7.60A) |
Data scaling software | SAINT |
Phasing software | SOLVE |
Refinement software | PHENIX (dev_940) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.980 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.050 | 0.271 |
Number of reflections | 20445 | |
<I/σ(I)> | 11.25 | 3.14 |
Completeness [%] | 96.5 | 90.8 |
Redundancy | 3.8 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 290 | 0.1 M MES pH 5.0, 0.3 M ammonium sulfate, 19% poly(ethylene) glycol 8000 and 20 % glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 290K |