1XLU
X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after Aging
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 154.495, 154.495, 127.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.198 |
| R-factor | 0.19551 |
| Rwork | 0.193 |
| R-free | 0.24216 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1poi |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.198 | 2.198 |
| Number of reflections | 37851 | |
| <I/σ(I)> | 27.9 | 4.6 |
| Completeness [%] | 96.3 | 100 |
| Redundancy | 7.8 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | AMMONIUM SULFATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
