5NLI
Crystal structure of Zn2-E16V human ubiquitin (hUb) mutant adduct, from a solution 35 mM zinc acetate/10% 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 | 44.450, 50.730, 93.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.610 - 1.530 |
| R-factor | 0.16893 |
| Rwork | 0.167 |
| R-free | 0.20154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ehv |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.258 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.220 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Number of reflections | 31309 | 3417 |
| <I/σ(I)> | 15 | 3.6 |
| Completeness [%] | 95.5 | 73.1 |
| Redundancy | 8.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22-30% (w/v) PEG 1450, 50 mM HEPES, 35 mM Zn(CH3COO)2 and 10% v/v TFE |
