3S8K
Crystal structure of a papaya latex serine protease inhibitor (PPI) at 1.7A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8073 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.262, 81.992, 140.891 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.682 - 1.700 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.541 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 51816 | |
<I/σ(I)> | 17.3 | |
Completeness [%] | 100.0 | 90.5 |
Redundancy | 6.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.8 M ammonium sulfate, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |