3CN7
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- MONOCLINIC 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 | 2002-07-31 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.649, 50.548, 142.548 |
| Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
| Resolution | 23.820 - 2.990 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1auo CHAIN A |
| RMSD bond length | 0.011 |
| 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] | 24.300 | 3.000 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.160 | 0.440 |
| Number of reflections | 18803 | |
| <I/σ(I)> | 3.9 | 1.7 |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 0.200 M AMS, 0.100 M MES, 30% w/v PEGMME-5000, Long needles grew within 3 days, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
