3UAK
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.645, 81.814, 159.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.964 - 3.232 |
| R-factor | 0.2179 |
| Rwork | 0.210 |
| R-free | 0.28680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1toi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.204 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 3.200 |
| Rmerge | 0.122 |
| Number of reflections | 26157 |
| <I/σ(I)> | 8.9 |
| Completeness [%] | 84.8 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution:0.2M MgCl2, 0.1M Bis-Tris, 25% PEG3350, sitting drop, temperature 277K, VAPOR DIFFUSION, SITTING DROP |
