2YXP
The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-09-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.666, 72.184, 41.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.620 - 1.530 |
| R-factor | 0.15956 |
| Rwork | 0.158 |
| R-free | 0.18477 |
| Structure solution method | rigid body refinement |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.247 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.620 | 1.590 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Number of reflections | 36268 | |
| <I/σ(I)> | 17.5 | 3.1 |
| Completeness [%] | 1.0 | 0.48 |
| Redundancy | 6.12 | 2.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2.4M ammonium sulfate, 0.1M MES,, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
