2H6T
Secreted aspartic proteinase (Sap) 3 from Candida albicans complexed with pepstatin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.100, 61.100, 170.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.860 - 1.900 |
| R-factor | 0.248 |
| Rwork | 0.239 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.348 |
| Number of reflections | 35196 | |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.3 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 15% PEG 4000, 0.2 M potassium bromide, 0.1 M cacodylic acid/ NaOH , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
