6K8M
High resolution crystal structure of proteinase K with thiourea
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER IMUS MICROFOCUS |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-05 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.842, 67.842, 102.377 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 1.450 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.17950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pek |
RMSD bond length | 0.012 |
RMSD bond angle | 1.747 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.790 | 1.450 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.065 | 0.557 |
Rmeas | 0.092 | 0.787 |
Number of reflections | 43099 | 2165 |
<I/σ(I)> | 12.4 | 1.9 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 1.9 | 1.8 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 273 | 1.28M ammonium sulfate, 0.1M Tris-HCl, pH 7.2 |