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 |