1QNU
Shiga-Like Toxin I B Subunit Complexed with the Bridged-Starfish Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU/MSC RU- |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.470, 71.610, 56.360 |
| Unit cell angles | 90.00, 109.02, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.230 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bos |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.000 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS (0.5) |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.350 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.161 * | 0.339 * |
| Number of reflections | 19159 | |
| <I/σ(I)> | 3.4 | 2.1 |
| Completeness [%] | 99.0 | 94.9 * |
| Redundancy | 5.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | COMPLEX PREPARED BY ADDING 15 MICROLITRES OF BRIDGE-STARFIS (0.35MM) SLOWLY TO 15 MICROLITRES OF SLT-I B-SUBUNIT (10 MG WHILE AGITATING. HANGING DROPS WERE PREPARED BY MIXING THI SOLUTION WITH AN EQUAL VOLUME OF RESERVOIR SOLUTION (28% SA NH4SO4, 2% 2-METHYL-2,4-PENTANEDIOL, 0.1M NACL, 0.1 M HEPES, pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 28 (%sat) | |
| 5 | 1 | reservoir | MPD | 2 (%) | |
| 6 | 1 | reservoir | 0.1 (M) | ||
| 7 | 1 | reservoir | HEPES | 0.1 (M) |
