1SFQ
Fast form of thrombin mutant R(77a)A bound to 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 | 2002-11-30 |
| 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 | 26.510 - 1.910 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 53183 | |
| <I/σ(I)> | 34.2 | 6.5 |
| Completeness [%] | 99.4 | 96.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | PEG monomethyl ether 2000, Bis-Tris, sodium chloride, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
