3LZY
Crystal structure of Endothiapesin in complex with Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.672, 73.522, 53.282 |
| Unit cell angles | 90.00, 109.85, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.17 |
| Rwork | 0.161 |
| R-free | 0.21700 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 30406 | |
| <I/σ(I)> | 26 | 7.2 |
| Completeness [%] | 98.7 | 77.5 |
| Redundancy | 7.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 288 | 25% PEG4000, 200mM ammonium acetate, 100 mM Na-acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
