Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.150, 170.480, 241.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.572 - 2.796 |
Rwork | 0.242 |
R-free | 0.26240 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.409 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.600 | 2.960 |
High resolution limit [Å] | 2.796 | 2.796 |
Rmeas | 0.277 | 1.690 |
Number of reflections | 128339 | 20491 |
<I/σ(I)> | 5.12 | |
Completeness [%] | 99.7 | |
Redundancy | 4.29 | |
CC(1/2) | 0.989 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 25% PEG3350, 0.2M Ammonium Acetate, 0.05M Bis-Tris buffer, pH 5.5 |