3KM5
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95667 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.911, 59.858, 85.672 |
Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
Resolution | 15.320 - 1.400 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20800 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.492 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 17.000 | 17.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.790 | 1.400 |
Rmerge | 0.058 | 0.042 | 0.266 |
Number of reflections | 56082 | ||
<I/σ(I)> | 11.8 | ||
Completeness [%] | 94.8 | 98.2 | 96 |
Redundancy | 3.6 | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 2.0M Ammonium sulfate, 0.2M Ammonium nitrate, 0.1M Na citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 2.0M Ammonium sulfate, 0.2M Ammonium nitrate, 0.1M Na citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |