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 |