2WV6
Crystal structure of the cholera toxin-like B-subunit from Citrobacter freundii to 1.9 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-04 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.050, 100.940, 83.270 |
| Unit cell angles | 90.00, 122.24, 90.00 |
Refinement procedure
| Resolution | 40.900 - 1.895 |
| R-factor | 0.17551 |
| Rwork | 0.174 |
| R-free | 0.21121 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3efx |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.538 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.900 | 2.000 |
| High resolution limit [Å] | 1.895 | 1.890 |
| Rmerge | 0.050 | 0.260 |
| Number of reflections | 71465 | |
| <I/σ(I)> | 13.1 | 2.9 |
| Completeness [%] | 98.4 | 89.1 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 10% PEG 6K, 1 M LITHIUM CHLORIDE AND 100 MM SODIUM ACETATE PH 4.6. 20% GLYECROL WERE ADDED AS CRYOPROTECTANT |
