3CN9
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- orthorhombic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-25 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.423, 96.363, 68.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.050 - 2.090 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1auo CHAIN A |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.050 | 2.100 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 36106 | |
| <I/σ(I)> | 6.4 | 2 |
| Completeness [%] | 96.7 | 90.5 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 200mM AMS, 100 mM MES, 30% w/v PEG-MME 5000, squared bipyramids appeared within 7 to 10 days, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
