8SDC
Crystal structure of fluoroacetate dehalogenase Daro3835 apoenzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-09-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.172, 45.224, 75.185 |
| Unit cell angles | 87.63, 75.56, 63.03 |
Refinement procedure
| Resolution | 19.660 - 1.860 |
| R-factor | 0.1271 |
| Rwork | 0.125 |
| R-free | 0.17350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.897 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15_3448) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.660 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.049 | 0.092 |
| Rpim | 0.044 | 0.061 |
| Number of reflections | 40571 | 2552 |
| <I/σ(I)> | 17.7 | 9.4 |
| Completeness [%] | 94.3 | 90.6 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.997 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% (W/V) PEG3350, 0.2 M MGCL2, 0.1 M BIS-TRIS PH 5.5, CRYOPROTECTANT 2% (V/V) PEG 200 AND PARATONE |
