3QDZ
Crystal structure of the human thrombin mutant D102N in complex with the extracellular fragment of human PAR4.
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] | 100 |
Detector technology | CCD |
Collection date | 2009-02-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.414, 102.876, 146.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.800 |
Rwork | 0.304 |
R-free | 0.36400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (from CCP4) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.800 | 2.900 |
High resolution limit [Å] | 2.800 | 3.530 | 2.800 |
Rmerge | 0.078 | 0.106 | 0.408 |
Number of reflections | 16395 | ||
<I/σ(I)> | 19.6 | 15.7 | 3.1 |
Completeness [%] | 94.9 | 100 | 78 |
Redundancy | 6.5 | 7.1 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 1.6 M tri-sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |