1Z8G
Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.705, 47.633, 67.791 |
| Unit cell angles | 90.00, 108.24, 90.00 |
Refinement procedure
| Resolution | 23.900 - 1.550 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ekb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.289 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.900 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.056 | 0.327 |
| Number of reflections | 46843 | |
| <I/σ(I)> | 21.6 | 2.1 |
| Completeness [%] | 95.0 | 59.2 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | PEG 3350, ammonium fluoride, Na-cacodylate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
