3L36
PIE12 D-peptide against HIV entry
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 41.117, 41.117, 81.731 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.640 - 1.450 |
| R-factor | 0.246 |
| Rwork | 0.243 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.530 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.107 | 0.235 |
| Number of reflections | 14802 | |
| <I/σ(I)> | 22.644 | |
| Completeness [%] | 99.7 | 96.6 |
| Redundancy | 12.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10.5 | 0.1 M CAPS PH 10.5, 40% MPD, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |
