4K7S
Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.26 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.840, 50.330, 94.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.360 - 1.760 |
| R-factor | 0.2125 |
| Rwork | 0.209 |
| R-free | 0.27104 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ehv |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.969 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.360 | 1.850 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.242 | 0.327 |
| Number of reflections | 21381 | |
| <I/σ(I)> | 5.3 | 4.3 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% (w/v) PEG 1450, 50mM HEPES pH 7.0, 35 mM zinc acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
