4IHZ
Crystal structure of CrataBL, a trypsin inhibitor from Crataeva tapia
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.900, 46.200, 71.500 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 19.950 - 1.500 |
| R-factor | 0.17424 |
| Rwork | 0.174 |
| R-free | 0.20611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.587 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.065 | |
| Number of reflections | 58600 | |
| <I/σ(I)> | 2.43 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 293 | 0.16 M ammonium sulfate, 0.08 M sodium acetate pH 4.6, 20% PEG4000, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
