4TPY
High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9198 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.677, 58.443, 66.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.950 - 1.300 |
R-factor | 0.14356 |
Rwork | 0.142 |
R-free | 0.17227 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.361 |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.064 | 0.425 |
Number of reflections | 44900 | |
<I/σ(I)> | 27.41 | 1.07 |
Completeness [%] | 90.4 | 33.2 |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 295 | 30mg/ml trypsin and 10mg/ml benzamidine in buffer (10mM CaCl2, 20mM HEPES pH 7.0) is combined with 1x precipitant (20% PEG 8000, 20mM ammonium s., 100 mM Bis Tris pH 7.0). Vapour diffusion against 2x precipitant (40% PEG 8000, 40mM ammonium s., 200mM Bis Tris pH 7.0). |