1S5E
Cholera holotoxin, Crystal form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.931, 108.230, 122.976 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 40.820 - 1.900 |
| R-factor | 0.16904 |
| Rwork | 0.167 |
| R-free | 0.20521 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CTY30S Form 3 structure (PDB ID 1S5B) |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.410 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.390 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 122327 | |
| <I/σ(I)> | 14.5 | 2.85 |
| Completeness [%] | 99.1 | 97.1 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG 3350, magnesium acetate, galactose, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
