3TNX
Structure of the precursor of a thermostable variant of papain at 2.6 Angstroem resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.925, 74.775, 116.510 |
| Unit cell angles | 90.00, 93.03, 90.00 |
Refinement procedure
| Resolution | 45.920 - 2.620 |
| R-factor | 0.1858 |
| Rwork | 0.183 |
| R-free | 0.23592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pci |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.643 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 21658 | |
| Completeness [%] | 97.0 | 94.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 8.0% PEG 3350, 0.1M Na-acetate pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
