4XVC
Crystal structure of an esterase from the bacterial hormone-sensitive lipase (HSL) family
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 | 2013-11-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.630, 76.172, 130.186 |
| Unit cell angles | 74.04, 75.15, 72.60 |
Refinement procedure
| Resolution | 39.330 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h18 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.088 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.118 | 0.248 |
| Number of reflections | 161567 | |
| <I/σ(I)> | 24.417 | |
| Completeness [%] | 97.3 | 96.7 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 0.15M ammonium sulfate, 0.1M MES, 12%(w/v) PEG 4,000 |
