4ESS
Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.698, 46.074, 30.179 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 29.425 - 1.997 |
| R-factor | 0.2034 |
| Rwork | 0.201 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v45 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.142 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | PHENIX (dev_988) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.997 |
| Rmerge | 0.070 |
| Number of reflections | 10472 |
| <I/σ(I)> | 6.1 |
| Completeness [%] | 100.0 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 6.5 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution:0.1M MES, 25% PEG8K, microbatch under oil, temperature 293KK |
