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. |