3VWC
High resolution structure of proteinase inhibitor from Coprinopsis cinerea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-10 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.626, 38.243, 54.890 |
| Unit cell angles | 90.00, 96.99, 90.00 |
Refinement procedure
| Resolution | 54.480 - 1.500 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23490 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.499 |
| Data reduction software | PROTEUM2 |
| Data scaling software | SAINT |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 1.590 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.061 | 0.560 |
| Number of reflections | 26279 | |
| <I/σ(I)> | 3.5 | |
| Completeness [%] | 99.3 | 96.2 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M MES, 20% MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
