2C5C
Shiga-like toxin 1 B subunit complexed with a bivalent inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-27 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.313, 114.313, 406.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.760 - 2.940 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qnu |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.479 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.29) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.040 | 3.040 |
| High resolution limit [Å] | 2.860 | 2.940 |
| Rmerge | 0.180 | 0.770 |
| Number of reflections | 196254 | |
| <I/σ(I)> | 6.8 | 1.3 |
| Completeness [%] | 91.5 | 92.2 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 32% SATURATED AMMONIUM SULFATE, 2% MPD, 200 MM NACL, 100 MM HEPES [PH 6.5] |
