3U0S
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 41 |
| Unit cell lengths | 87.002, 87.002, 163.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.150 - 2.600 |
| R-factor | 0.17194 |
| Rwork | 0.171 |
| R-free | 0.19805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.348 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.070 | 0.042 | 0.416 |
| Number of reflections | 37384 | ||
| <I/σ(I)> | 20.5 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 12.8 | 15 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100mM HEPES pH 7.5, 2% v/v PEG-400, 2.0M (NH4)2SO4; 25mM HEPES pH 7.25, 100mM NaCl, 5% glycerol (mother liquor); A solution was prepared of CE6 (15mg/ml) in protein buffer with a 1:10,000 molar ratio of Bovine Pancreatic Trypsin (Sigma T1426) added about 25 minutes prior to setting drops (protein buffer), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
