2Z2T
Crystal structure of the complex between gp41 fragment N36 and fusion inhibitor SC34EK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-05 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 105.014, 105.014, 78.308 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.850 - 2.100 |
| R-factor | 0.21464 |
| Rwork | 0.213 |
| R-free | 0.23803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aik |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.015 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 90.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.122 |
| Number of reflections | 29461 |
| Completeness [%] | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | 100mM Sodium Acetate Buffer, pH4.0, 200mM Ammonium Sulphate, 14% PEG2000MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
