5LU2
Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9801 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.060, 78.980, 75.360 |
Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
Resolution | 43.970 - 2.500 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iqj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.560 | |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.150 | 0.044 | 1.817 |
Number of reflections | 17880 | ||
<I/σ(I)> | 7.11 | 22.41 | 0.88 |
Completeness [%] | 99.6 | 95.9 | 100 |
Redundancy | 3.7 | ||
CC(1/2) | 0.994 | 0.996 | 0.260 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES (pH 7.5), 0.2 M MgCl2 and 30% PEG 400 |