3S8J
Crystal structure of a papaya latex serine protease inhibitor (PPI) at 2.6A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9150 |
Spacegroup name | P 31 |
Unit cell lengths | 74.699, 74.699, 78.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.966 - 2.600 |
R-factor | 0.1532 |
Rwork | 0.150 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.236 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.110 | |
Number of reflections | 15065 | |
<I/σ(I)> | 24.4 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.5 M sodium formate, 0.1 M sodium acetate, 0.1 M ammonium sulphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |