1SHH
Slow form of Thrombin Bound with PPACK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2003-04-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.340, 68.200, 162.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.470 - 1.550 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (in CCP4) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.470 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 94467 | |
<I/σ(I)> | 27.5 | 2.4 |
Completeness [%] | 94.0 | 62.9 |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 16-22% PEG monomethyl ether 2000, 50 mM Bis-tris, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |