2ZZO
Crystal structure of the complex between GP41 fragment N36 and fusion inhibitor C34/S138A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-16 |
| Detector | RIGAKU RAXIS VII |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 49.090, 49.090, 56.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.520 - 2.200 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aik |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.060 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.950 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.061 | 0.406 |
| Number of reflections | 4248 | |
| <I/σ(I)> | 19.1 | 4.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.13 | 9.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 293 | 100MM SODIUM ACETATE BUFFER, PH4.0, 400MM MAGNESIUM CHLORIDE, 12% ETHANOL, pH 4.00, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
