3L35
PIE12 D-peptide against HIV entry
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-11 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.850, 40.487, 80.306 |
| Unit cell angles | 90.00, 91.76, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.235 |
| Rwork | 0.233 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.440 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.051 | 0.250 |
| Number of reflections | 25088 | |
| <I/σ(I)> | 21.669 | |
| Completeness [%] | 86.5 | 66.8 |
| Redundancy | 4.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 0.1 M BICINE, 2% V/V 1,4-DIOXANE, 10% W/V POLYETHYLENE GLYCOL 20,000, PH 9.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
