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 |