3AJ9
X-ray analysis of Crystal of Proteinase K Obtained from D2O Solution Using PEG 8000
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97802 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.100, 68.100, 102.464 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.976 - 1.100 |
R-factor | 0.1479 |
Rwork | 0.147 |
R-free | 0.16150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ic6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.301 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.160 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.087 | 0.330 |
Number of reflections | 97788 | |
<I/σ(I)> | 23.6 | 7.2 |
Completeness [%] | 99.7 | 98.1 |
Redundancy | 14 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 4.5% PEG 8000, 0.05M calcium acetate, 0.05M cacodylate, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |