3BBA
Structure of active wild-type Prevotella intermedia interpain A cysteine protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9760 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 129.241, 129.241, 81.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.250 - 3.200 |
| R-factor | 0.20977 |
| Rwork | 0.207 |
| R-free | 0.26117 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bb7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.310 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.250 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.329 | 0.897 |
| Number of reflections | 13017 | |
| <I/σ(I)> | 6.2 | 1.9 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 7.9 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 28% PEG 4000, 0.2M magnesium chloride, 30% xylitol, 0.1M Tris HCl, pH8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
