1KTH
The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom
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] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1998-10-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 25.270, 37.800, 28.510 |
Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
Resolution | 8.000 * - 0.950 |
R-factor | 0.121 * |
Rwork | 0.135 |
R-free | 0.16200 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2knt |
RMSD bond length | 0.016 |
RMSD bond angle | 0.032 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | 0.970 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.041 * | 0.340 * |
Total number of observations | 179075 * | |
Number of reflections | 33572 * | |
Completeness [%] | 95.2 * | 85.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 3 * | 4 * | Arnoux, B., (1995) J. Mol. Biol., 246, 609. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | reservoir | 0.2 (M) | ||
3 | 1 | reservoir | citric acid | 0.1 (M) | |
4 | 1 | reservoir | 0.074 (M) | ||
5 | 1 | reservoir | ammonium sulfate | 1.45 (M) |