4ZAR
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979200 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.850, 67.850, 102.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.580 - 1.150 |
R-factor | 0.1124 |
Rwork | 0.110 |
R-free | 0.13450 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3prk |
RMSD bond length | 0.026 |
RMSD bond angle | 1.766 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.600 | 1.180 | |
High resolution limit [Å] | 1.150 | 5.140 | 1.150 |
Rmerge | 0.067 | 0.044 | 0.591 |
Rmeas | 0.070 | 0.046 | 0.630 |
Total number of observations | 1014404 | ||
Number of reflections | 82922 | 1105 | 4619 |
<I/σ(I)> | 18.82 | 45.72 | 3.26 |
Completeness [%] | 97.2 | 99.6 | 74.4 |
Redundancy | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Ammonium Sulfate , Tris HCL, calcium chloride |