5CXL
CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2012-07-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918410 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 52.225, 52.225, 195.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.150 - 1.450 |
| R-factor | 0.151 |
| Rwork | 0.148 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.920 |
| Data reduction software | MOSFLM |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.056 | 0.787 |
| Number of reflections | 46709 | |
| <I/σ(I)> | 22.11 | 2.55 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | BUFFER COMPOSITION: 5 mM TRIS-HCL PH=7.4, 150 mM NaCl, 10 mM CaCl2. PRECIPITANT COMPOSITION: 0.2 M MAGNESIUM NITRATE, 20% V/V PEG 3350, |
