2AIQ
Crystal structure of benzamidine-inhibited protein C activator from the venom of copperhead snake Agkistrodon contortrix contortrix
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.438 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.516, 63.463, 48.216 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 20.580 - 1.540 |
| R-factor | 0.16922 |
| Rwork | 0.168 |
| R-free | 0.19055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aip |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.455 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.580 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.084 | |
| Number of reflections | 35447 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.9 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
