2PKY
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 | 2006-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.363, 71.093, 40.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.760 - 1.550 |
| R-factor | 0.19143 |
| Rwork | 0.189 |
| R-free | 0.23135 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 1b6g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.198 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (9.2SSI) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.760 | 1.620 |
| High resolution limit [Å] | 1.530 | 1.550 |
| Rmerge | 0.077 | 0.352 |
| Number of reflections | 41347 | |
| <I/σ(I)> | 9.4 | 1.8 |
| Completeness [%] | 83.1 | 16.3 |
| Redundancy | 3.52 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 2.6M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
