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 |