1NLI
Complex of [E160A-E189A] trichosanthin and adenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.928, 75.299, 78.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.400 * - 1.930 |
| R-factor | 0.16011 |
| Rwork | 0.158 |
| R-free | 0.20800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qd2 |
| RMSD bond length | 0.002 * |
| RMSD bond angle | 1.775 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.400 * | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.065 * | 0.155 |
| Number of reflections | 17397 * | |
| <I/σ(I)> | 9.2 | 5.4 |
| Completeness [%] | 99.3 | 95.9 * |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 16 * | Tris-HCl, PEG4000, magnesium chloride, adenine hemisulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 85 (mM) | ||
| 2 | 1 | drop | potassium phosphate | 20 (mM) | pH6.0 |
| 3 | 1 | drop | protein | 20 (mg/ml) | |
| 4 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH6.5 |
| 5 | 1 | reservoir | PEG4000 | 20 (%) | |
| 6 | 1 | reservoir | 0.1 (M) | ||
| 7 | 1 | reservoir | adenine hemisulfate | 2.7 (mM) |
