3OIS
Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.089, 69.314, 82.368 |
| Unit cell angles | 75.86, 75.43, 66.51 |
Refinement procedure
| Resolution | 23.060 - 1.650 |
| R-factor | 0.1685 |
| Rwork | 0.166 |
| R-free | 0.21590 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.089 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.17) |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.664 | 23.106 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.054 | 0.030 | 0.400 |
| Total number of observations | 33272 | 71306 | |
| Number of reflections | 117070 | ||
| <I/σ(I)> | 27 | 20.6 | 1.9 |
| Completeness [%] | 91.0 | 95.7 | 86.7 |
| Redundancy | 8.1 | 8.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 20-22% PEG 4000, 60 mM Sodium citrate, 134 mM Ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
