5NLJ
Crystal structure of Zn3-E16V human ubiquitin (hUb) mutant adduct, from a solution 70 mM zinc acetate/20% v/v TFE/1.3 mM E16V 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 | 44.360, 49.970, 93.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.050 - 1.530 |
| R-factor | 0.20064 |
| Rwork | 0.199 |
| R-free | 0.23992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ehv |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.384 |
| 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] | 27.050 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Number of reflections | 30080 | 3141 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 93.7 | 68.1 |
| Redundancy | 7.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22-30% (w/v) PEG 1450, 50 mM HEPES, 70 mM Zn(CH3COO)2 and 20% v/v TFE. |
