2F3C
Crystal structure of infestin 1, a Kazal-type serineprotease inhibitor, in complex with trypsin
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 | 2004-03-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.993, 62.692, 67.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| Rwork | 0.170 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1AN1 and 2ERW |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.540 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.127 | 2.590 |
| High resolution limit [Å] | 2.501 | 2.500 |
| Number of reflections | 8955 | |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 4.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 303 | 30% PEG 4000, 0.1M Tris-HCl, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 303K |
