4NMW
Crystal Structure of Carboxylesterase BioH from Salmonella enterica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.059, 54.211, 66.769 |
| Unit cell angles | 90.00, 126.13, 90.00 |
Refinement procedure
| Resolution | 26.963 - 1.496 |
| R-factor | 0.143 |
| Rwork | 0.141 |
| R-free | 0.17900 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.265 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 45820 | |
| <I/σ(I)> | 11.3 | 2.54 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M magnessium chloride, 0.1 M MES pH 6.5, 10 %(w/v) PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
