5NMC
Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 70 mM zinc acetate/20% v/v TFE/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 | 2011-03-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.265 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.790, 50.320, 93.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.020 - 1.700 |
| R-factor | 0.22728 |
| Rwork | 0.225 |
| R-free | 0.27639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ehv |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.087 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.020 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 23500 | 1204 |
| <I/σ(I)> | 4.4 | 1.6 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22-30% (w/v) PEG 1450, 50 mM HEPES pH 6.5-7.0, 70 mM Zn(CH3COO)2 and 20% v/v TFE |
