5CVW
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) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 62.824, 62.983, 77.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 1.250 |
| R-factor | 0.14009 |
| Rwork | 0.139 |
| R-free | 0.16644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1srp |
| RMSD bond length | 0.048 |
| RMSD bond angle | 2.203 |
| Data reduction software | MOSFLM |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.300 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rmerge | 0.043 | |
| Number of reflections | 42131 | |
| <I/σ(I)> | 19.78 | |
| Completeness [%] | 93.6 | 72.3 |
| Redundancy | 4.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING 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 sulfate, 20% v/v PEG 3350 |
