3R3G
Structure of human thrombin with residues 145-150 of murine thrombin.
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 | 2009-06-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.072, 48.058, 53.722 |
Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
Resolution | 30.130 - 1.750 |
R-factor | 0.18629 |
Rwork | 0.184 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.343 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (from ccp4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 | 1.780 |
High resolution limit [Å] | 1.750 | 1.930 | 1.750 |
Rmerge | 0.062 | 0.215 | 0.396 |
Number of reflections | 29518 | ||
<I/σ(I)> | 19.1 | 4.8 | 2.2 |
Completeness [%] | 98.3 | 97.4 | 97.3 |
Redundancy | 3.4 | 3.1 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1 M MES, pH 6.5 and 20% PEG20000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |