2R5B
Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7
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 | 2007-04-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.541 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.024, 106.201, 76.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.540 - 2.000 |
| R-factor | 0.209 |
| Rwork | 0.203 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.146 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.076 | 0.559 |
| Number of reflections | 14381 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1M MES, 0.2M NaCl, 10 mM zinc sulfate, 25% PEG 550 MME, pH 6.5, vapor diffusion, temperature 298K |
