5DWD
Crystal structure of esterase PE8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.772, 73.398, 66.403 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 64.860 - 1.660 |
| R-factor | 0.15813 |
| Rwork | 0.156 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.063 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 64.860 |
| High resolution limit [Å] | 1.660 |
| Number of reflections | 45616 |
| <I/σ(I)> | 22.54 |
| Completeness [%] | 99.1 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05M Calcium chloride dehydrate;0.1M BIS-TRIS pH 6.5;30%(v/v) Polyethylene glycol monomethyl ether 550 |
