4DY7
Crystal structures of protease nexin-1 in complex with S195A thrombin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.960, 86.670, 101.890 |
| Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
| Resolution | 47.040 - 2.800 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.556 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0098) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 51.370 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.111 |
| Number of reflections | 39308 |
| <I/σ(I)> | 6.4 |
| Completeness [%] | 95.3 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 295 | 0.14M calcium acetate, 13% PEG3350, pH 7.4, VAPOR DIFFUSION, temperature 295K |
