3TC2
Crystal structure of potato serine protease inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-13 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.94644 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.822, 93.920, 55.442 |
| Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
| Resolution | 54.230 - 1.600 |
| R-factor | 0.17061 |
| Rwork | 0.168 |
| R-free | 0.22108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.316 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.044 | 0.370 |
| Number of reflections | 50787 | |
| <I/σ(I)> | 14 | 1.8 |
| Completeness [%] | 70.0 | 18.4 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.1 M HEPES pH 7.5, 10% PEG 8000, 8% ethylene glycol, 9 mM 1-s-octyl-beta-D-thioglucoside, VAPOR DIFFUSION, temperature 298K |
