3PVK
Secreted aspartic protease 2 in complex with benzamidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.380, 63.580, 98.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.999 - 1.270 |
| R-factor | 0.1687 |
| Rwork | 0.168 |
| R-free | 0.18410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eag |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.060 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Number of reflections | 79920 | |
| <I/σ(I)> | 26.2 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 9 mM ZnAc, 16% PEG 8000, 0.1M imidazole/malate buffer pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
