3SRG
Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2-hydroxyquinoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.544, 93.544, 144.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.770 - 2.190 |
| R-factor | 0.18432 |
| Rwork | 0.182 |
| R-free | 0.22695 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sre |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.770 | 2.240 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.113 | 0.621 |
| Number of reflections | 33798 | |
| <I/σ(I)> | 30.5 | 5.95 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.3 | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 20% PEG3350, 0.2 M sodium bromide, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
