3USV
Structure of the precursor of a thermostable variant of papain at 3.8 A resolution from a crystal soaked at pH 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-05-23 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.853, 75.970, 109.711 |
| Unit cell angles | 90.00, 97.71, 90.00 |
Refinement procedure
| Resolution | 29.600 - 3.800 |
| R-factor | 0.358 |
| Rwork | 0.358 |
| R-free | 0.40800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tnx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.400 |
| Data reduction software | AUTOMAR |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.940 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.121 | |
| Number of reflections | 6069 | |
| <I/σ(I)> | 1.4 | |
| Completeness [%] | 86.6 | 88.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | CS37 of Hampton Research, soaked overnight in NaOAc buffer pH 4.0, VAPOR DIFFUSION, HANGING DROP |
