3LFY
CTD of Tarocystatin in complex with papain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97315 |
| Spacegroup name | P 31 |
| Unit cell lengths | 48.890, 48.890, 200.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.140 - 2.600 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.750 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.076 | 0.517 |
| Number of reflections | 17482 | |
| <I/σ(I)> | 45.6 | 3.08 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Hepes pH 7.5, 70% v/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
